[4-[[4-[(4-methoxyphenyl)carbamoyl]-2,6-dinitro-phenyl]amino]phenyl] 3-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [4-[[4-[(4-methoxyphenyl)carbamoyl]-2,6-dinitro-phenyl]amino]phenyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [4-[4-[(4-methoxyphenyl)carbamoyl]-2,6-dinitro-anilino]phenyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [4-[4-[(4-methoxyanilino)-oxomethyl]-2,6-dinitroanilino]phenyl] ester IUPAC Name: [4-[4-[(4-methoxyphenyl)carbamoyl]-2,6-dinitroanilino]phenyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [4-[4-[(4-methoxyphenyl)carbamoyl]-2,6-dinitro-anilino]phenyl] ester Formula: C31H22N4O9 MolecularWeight: 594.52778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC(=O)C4=CC5=CC=CC=C5C=C4O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])NC3=CC=C(C=C3)OC(=O)C4=CC5=CC=CC=C5C=C4O)[N+](=O)[O-]

InChI

InChI=1S/C31H22N4O9/c1-43-23-10-6-22(7-11-23)33-30(37)20-15-26(34(39)40)29(27(16-20)35(41)42)32-21-8-12-24(13-9-21)44-31(38)25-14-18-4-2-3-5-19(18)17-28(25)36/h2-17,32,36H,1H3,(H,33,37)