2-CHLORO-5-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID

CAS No.
530137-78-1
CCD No.
CCD00396115
Formula
C16 H12 Cl N3 O5 S
MolWeight
393.806

Basic Information

Product Name: 2-CHLORO-5-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
CAS: 530137-78-1
English Synonyms: BENZOIC ACID, 2-CHLORO-5-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]- ; 2-CHLORO-5-[[[(4-METHYL-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
MDL Number.: MFCD03564300
H bond acceptor: 8
H bond donor: 3
Smile: Cc1ccc(cc1[N+](=O)[O-])C(=O)NC(=S)Nc2ccc(c(c2)C(=O)O)Cl
InChi: InChI=1S/C16H12ClN3O5S/c1-8-2-3-9(6-13(8)20(24)25)14(21)19-16(26)18-10-4-5-12(17)11(7-10)15(22)23/h2-7H,1H3,(H,22,23)(H2,18,19,21,26)
InChiKey: InChIKey=XYXKEAAOMMINGM-UHFFFAOYSA-N

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