7-[(3-methyl-4-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2-sulfonic acid

Systemtic Name: 7-[(3-methyl-4-nitro-phenyl)carbonylamino]-5-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 5-hydroxy-7-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 5-hydroxy-7-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 5-hydroxy-7-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 5-hydroxy-7-[(3-methyl-4-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=CC(=C1)C(=O)NC2=CC(=C3C=CC(=CC3=C2)S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C3C=CC(=CC3=C2)S(=O)(=O)O)O)[N+](=O)[O-]

InChI

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