769142-19-0
1-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
Name1-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
1-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD06199382
【English Synonyms】
【Formula】
C27 H21 N3 O7
【MolWeight】
499.477
【Inchi】
InChI=1S/C27H21N3O7/c1-35-24-13-11-19(15-25(24)36-2)27(32)37-23-12-10-17-6-3-4-9-21(17)22(23)16-28-29-26(31)18-7-5-8-20(14-18)30(33)34/h3-16H,1-2H3,(H,29,31)/b28-16+
【InChIKey】
InChIKey=GHMPUCXMAWJASU-LQKURTRISA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4cccc(c4)[N+](=O)[O-]
【MOL File】
1-(2-(3-NITROBENZOYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-NITROBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE.cml