2-[[(2-methyl-4-nitro-phenyl)amino]-(propan-2-ylideneamino)amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[(2-methyl-4-nitro-phenyl)amino]-(propan-2-ylideneamino)amino]-5-sulfo-benzoic acid Openeye Name: 2-[(isopropylideneamino)-(2-methyl-4-nitro-anilino)amino]-5-sulfo-benzoic acid CAS Name: 2-[(2-methyl-4-nitroanilino)-(propan-2-ylideneamino)amino]-5-sulfobenzoic acid IUPAC Name: 2-[(2-methyl-4-nitroanilino)-(propan-2-ylideneamino)amino]-5-sulfobenzoic acid Traditional Name: 2-[(isopropylideneamino)-(2-methyl-4-nitro-anilino)amino]-5-sulfo-benzoic acid Formula: C17H18N4O7S MolecularWeight: 422.41242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O7S/c1-10(2)18-20(19-15-6-4-12(21(24)25)8-11(15)3)16-7-5-13(29(26,27)28)9-14(16)17(22)23/h4-9,19H,1-3H3,(H,22,23)(H,26,27,28)