2-[[(4-chloranyl-2-methyl-phenyl)amino]-[(Z)-ethylideneamino]amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[(4-chloranyl-2-methyl-phenyl)amino]-[(Z)-ethylideneamino]amino]-5-sulfo-benzoic acid Openeye Name: 2-[(4-chloro-2-methyl-anilino)-[(Z)-ethylideneamino]amino]-5-sulfo-benzoic acid CAS Name: 2-[(4-chloro-2-methylanilino)-[(Z)-ethylideneamino]amino]-5-sulfobenzoic acid IUPAC Name: 2-[(4-chloro-2-methylanilino)-[(Z)-ethylideneamino]amino]-5-sulfobenzoic acid Traditional Name: 2-[(4-chloro-2-methyl-anilino)-[(Z)-ethylideneamino]amino]-5-sulfo-benzoic acid Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

CC=NN(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=C(C=C2)Cl)C

Isomeric SMILES

C/C=N\N(C1=C(C=C(C=C1)S(=O)(=O)O)C(=O)O)NC2=C(C=C(C=C2)Cl)C

InChI

InChI=1S/C16H16ClN3O5S/c1-3-18-20(19-14-6-4-11(17)8-10(14)2)15-7-5-12(26(23,24)25)9-13(15)16(21)22/h3-9,19H,1-2H3,(H,21,22)(H,23,24,25)/b18-3-