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

Systemtic Name: [4-[[4-(diethylcarbamoyl)-2,6-dinitro-phenyl]amino]phenyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [4-[4-(diethylcarbamoyl)-2,6-dinitro-anilino]phenyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [4-[4-[diethylamino(oxo)methyl]-2,6-dinitroanilino]phenyl] ester IUPAC Name: [4-[4-(diethylcarbamoyl)-2,6-dinitroanilino]phenyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [4-[4-(diethylcarbamoyl)-2,6-dinitro-anilino]phenyl] ester Formula: C28H24N4O8 MolecularWeight: 544.51216

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4C=C3O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)OC(=O)C3=CC4=CC=CC=C4C=C3O)[N+](=O)[O-]

InChI

InChI=1S/C28H24N4O8/c1-3-30(4-2)27(34)19-14-23(31(36)37)26(24(15-19)32(38)39)29-20-9-11-21(12-10-20)40-28(35)22-13-17-7-5-6-8-18(17)16-25(22)33/h5-16,29,33H,3-4H2,1-2H3