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

Systemtic Name: [4-[[2,6-dinitro-4-[(phenylmethyl)carbamoyl]phenyl]amino]phenyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [4-[4-(benzylcarbamoyl)-2,6-dinitro-anilino]phenyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [4-[2,6-dinitro-4-[oxo-[(phenylmethyl)amino]methyl]anilino]phenyl] ester IUPAC Name: [4-[4-(benzylcarbamoyl)-2,6-dinitroanilino]phenyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [4-[4-(benzylcarbamoyl)-2,6-dinitro-anilino]phenyl] ester Formula: C31H22N4O8 MolecularWeight: 578.52838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=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

C1=CC=C(C=C1)CNC(=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/C31H22N4O8/c36-28-17-21-9-5-4-8-20(21)14-25(28)31(38)43-24-12-10-23(11-13-24)33-29-26(34(39)40)15-22(16-27(29)35(41)42)30(37)32-18-19-6-2-1-3-7-19/h1-17,33,36H,18H2,(H,32,37)