5-[(4-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 5-[(4-methyl-3-nitro-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-5-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-5-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-5-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-5-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1-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=CC=CC3=C(C=CC(=C32)O)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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