940531-87-3
(E)-4-(4-[(DIETHYLAMINO)CARBONYL]ANILINO)-4-OXO-2-BUTENOIC ACID
Name(E)-4-(4-[(DIETHYLAMINO)CARBONYL]ANILINO)-4-OXO-2-BUTENOIC ACID
1Identification
【Name】
(E)-4-(4-[(DIETHYLAMINO)CARBONYL]ANILINO)-4-OXO-2-BUTENOIC ACID
【CAS】
【MDL】
MFCD09436813
【English Synonyms】
【Formula】
C15 H18 N2 O4
【MolWeight】
290.317
【Inchi】
InChI=1S/C15H18N2O4/c1-3-17(4-2)15(21)11-5-7-12(8-6-11)16-13(18)9-10-14(19)20/h5-10H,3-4H2,1-2H3,(H,16,18)(H,19,20)/b10-9+
【InChIKey】
InChIKey=HBGCCSJGVXGWQH-MDZDMXLPSA-N
【SMILES】
CCN(CC)C(=O)c1ccc(cc1)NC(=O)/C=C/C(=O)O
【MOL File】
(E)-4-(4-[(DIETHYLAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-4-(4-[(DIETHYLAMINO)CARBONYL]ANILINO)-4-OXO-2-BUTENOIC ACID.cml