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

Systemtic Name: [4-[(4-morpholin-4-ylcarbonyl-2,6-dinitro-phenyl)amino]phenyl] 3-oxidanylnaphthalene-2-carboxylate Openeye Name: [4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]phenyl] 3-hydroxynaphthalene-2-carboxylate CAS Name: 3-hydroxy-2-naphthalenecarboxylic acid [4-[4-[4-morpholinyl(oxo)methyl]-2,6-dinitroanilino]phenyl] ester IUPAC Name: [4-[4-(morpholine-4-carbonyl)-2,6-dinitroanilino]phenyl] 3-hydroxynaphthalene-2-carboxylate Traditional Name: 3-hydroxynaphthalene-2-carboxylic acid [4-[4-(morpholine-4-carbonyl)-2,6-dinitro-anilino]phenyl] ester Formula: C28H22N4O9 MolecularWeight: 558.49568

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=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

C1COCCN1C(=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/C28H22N4O9/c33-25-16-18-4-2-1-3-17(18)13-22(25)28(35)41-21-7-5-20(6-8-21)29-26-23(31(36)37)14-19(15-24(26)32(38)39)27(34)30-9-11-40-12-10-30/h1-8,13-16,29,33H,9-12H2