[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 7,7a-dihydroacenaphthyleno[1,2-b]quinoxaline-9-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 7,7a-dihydroacenaphthyleno[1,2-b]quinoxaline-9-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 7,7a-dihydroacenaphthyleno[1,2-b]quinoxaline-9-carboxylate CAS Name: 7,7a-dihydroacenaphthyleno[1,2-b]quinoxaline-9-carboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 7,7a-dihydroacenaphthyleno[1,2-b]quinoxaline-9-carboxylate Traditional Name: 7,7a-dihydroacenaphtho[1,2-b]quinoxaline-9-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H17N3O5 MolecularWeight: 463.44098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=C(C3=CC=C2)N=C5C=CC(=CC5N4)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C4=C(C3=CC=C2)N=C5C=CC(=CC5N4)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C27H17N3O5/c31-23(16-6-1-7-18(12-16)30(33)34)14-35-27(32)17-10-11-21-22(13-17)29-26-20-9-3-5-15-4-2-8-19(24(15)20)25(26)28-21/h1-13,22,29H,14H2