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

Systemtic Name: 5-[(3-methyl-4-nitro-phenyl)carbonylamino]-7-oxidanyl-naphthalene-2-sulfonic acid Openeye Name: 7-hydroxy-5-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-2-sulfonic acid CAS Name: 7-hydroxy-5-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-2-naphthalenesulfonic acid IUPAC Name: 7-hydroxy-5-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-2-sulfonic acid Traditional Name: 7-hydroxy-5-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-2-sulfonic acid Formula: C18H14N2O7S MolecularWeight: 402.37796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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