2-[[(2-methoxy-4-nitro-phenyl)amino]-(methylideneamino)amino]-5-sulfo-benzoic acid

Systemtic Name: 2-[[(2-methoxy-4-nitro-phenyl)amino]-(methylideneamino)amino]-5-sulfo-benzoic acid Openeye Name: 2-[(2-methoxy-4-nitro-anilino)-(methyleneamino)amino]-5-sulfo-benzoic acid CAS Name: 2-[(2-methoxy-4-nitroanilino)-(methyleneamino)amino]-5-sulfobenzoic acid IUPAC Name: 2-[(2-methoxy-4-nitroanilino)-(methylideneamino)amino]-5-sulfobenzoic acid Traditional Name: 2-[(2-methoxy-4-nitro-anilino)-(methyleneamino)amino]-5-sulfo-benzoic acid Formula: C15H14N4O8S MolecularWeight: 410.35866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NN(C2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)N=C

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NN(C2=C(C=C(C=C2)S(=O)(=O)O)C(=O)O)N=C

InChI

InChI=1S/C15H14N4O8S/c1-16-18(17-12-5-3-9(19(22)23)7-14(12)27-2)13-6-4-10(28(24,25)26)8-11(13)15(20)21/h3-8,17H,1H2,2H3,(H,20,21)(H,24,25,26)