4-[(3-chloranyl-6-methyl-2-sulfanyl-phenyl)-methanoyl-amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(3-chloranyl-6-methyl-2-sulfanyl-phenyl)-methanoyl-amino]-3-nitro-benzoic acid Openeye Name: 4-(3-chloro-N-formyl-6-methyl-2-sulfanyl-anilino)-3-nitro-benzoic acid CAS Name: 4-(3-chloro-N-formyl-2-mercapto-6-methylanilino)-3-nitrobenzoic acid IUPAC Name: 4-(3-chloro-N-formyl-6-methyl-2-sulfanylanilino)-3-nitrobenzoic acid Traditional Name: 4-(3-chloro-N-formyl-2-mercapto-6-methyl-anilino)-3-nitro-benzoic acid Formula: C15H11ClN2O5S MolecularWeight: 366.77624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)Cl)S)N(C=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)Cl)S)N(C=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H11ClN2O5S/c1-8-2-4-10(16)14(24)13(8)17(7-19)11-5-3-9(15(20)21)6-12(11)18(22)23/h2-7,24H,1H3,(H,20,21)