disodium 2-[[(2-methyl-4-nitro-phenyl)amino]-(propan-2-ylideneamino)amino]-5-sulfonato-benzoate

Systemtic Name: disodium 2-[[(2-methyl-4-nitro-phenyl)amino]-(propan-2-ylideneamino)amino]-5-sulfonato-benzoate Openeye Name: disodium 2-[(isopropylideneamino)-(2-methyl-4-nitro-anilino)amino]-5-sulfonato-benzoate CAS Name: disodium 2-[(2-methyl-4-nitroanilino)-(propan-2-ylideneamino)amino]-5-sulfonatobenzoate IUPAC Name: disodium 2-[(2-methyl-4-nitroanilino)-(propan-2-ylideneamino)amino]-5-sulfonatobenzoate Traditional Name: disodium 2-[(isopropylideneamino)-(2-methyl-4-nitro-anilino)amino]-5-sulfonato-benzoate Formula: C17H16N4Na2O7S MolecularWeight: 466.37608

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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.[Na+].[Na+]

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.[Na+].[Na+]

InChI

InChI=1S/C17H18N4O7S.2Na/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);;/q;2*+1/p-2