4-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 4-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-4-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 5-hydroxy-4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-4-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 5-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=C3C(=CC(=C2)S(=O)(=O)O)C=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=CC=C3O)[N+](=O)[O-]

InChI

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