8-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 8-[(3-methyl-4-nitro-phenyl)carbonylamino]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-8-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-8-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-8-[(3-methyl-4-nitrobenzoyl)amino]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-8-[(3-methyl-4-nitro-benzoyl)amino]naphthalene-1-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=CC=CC3=C(C=CC(=C32)S(=O)(=O)O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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