4-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)carbonylamino]-3-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 3-hydroxy-4-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 3-hydroxy-4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 3-hydroxy-4-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 3-hydroxy-4-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-2-sulfonic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC3=CC=CC=C32)S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C(=CC3=CC=CC=C32)S(=O)(=O)O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O7S/c1-10-6-7-12(8-14(10)20(23)24)18(22)19-16-13-5-3-2-4-11(13)9-15(17(16)21)28(25,26)27/h2-9,21H,1H3,(H,19,22)(H,25,26,27)