disodium 2-[[(2-methoxy-4-nitro-phenyl)amino]-(methylideneamino)amino]-5-sulfonato-benzoate

Systemtic Name: disodium 2-[[(2-methoxy-4-nitro-phenyl)amino]-(methylideneamino)amino]-5-sulfonato-benzoate Openeye Name: disodium 2-[(2-methoxy-4-nitro-anilino)-(methyleneamino)amino]-5-sulfonato-benzoate CAS Name: disodium 2-[(2-methoxy-4-nitroanilino)-(methyleneamino)amino]-5-sulfonatobenzoate IUPAC Name: disodium 2-[(2-methoxy-4-nitroanilino)-(methylideneamino)amino]-5-sulfonatobenzoate Traditional Name: disodium 2-[(2-methoxy-4-nitro-anilino)-(methyleneamino)amino]-5-sulfonato-benzoate Formula: C15H12N4Na2O8S MolecularWeight: 454.32232

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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.[Na+].[Na+]

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.[Na+].[Na+]

InChI

InChI=1S/C15H14N4O8S.2Na/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);;/q;2*+1/p-2