7-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 7-[(4-methyl-3-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 5-hydroxy-7-[(4-methyl-3-nitro-benzoyl)amino]naphthalene-1-sulfonic acid CAS Name: 5-hydroxy-7-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-7-[(4-methyl-3-nitrobenzoyl)amino]naphthalene-1-sulfonic acid Traditional Name: 5-hydroxy-7-[(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(=C3C=CC=C(C3=C2)S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)O)O)[N+](=O)[O-]

InChI

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