[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C21H18N2O7/c1-11-7-16(17(23(28)29)8-12(11)2)22-19(25)10-30-21(27)15-9-18(24)13-5-3-4-6-14(13)20(15)26/h3-9,24,26H,10H2,1-2H3,(H,22,25)