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

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate CAS Name: 9-acenaphthyleno[1,2-b]quinoxalinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate Traditional Name: acenaphtho[1,2-b]quinoxaline-9-carboxylic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H15N3O5 MolecularWeight: 461.4251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=NC5=C(C=C(C=C5)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-])N=C4C3=CC=C2

Isomeric SMILES

C1=CC2=C3C(=C1)C4=NC5=C(C=C(C=C5)C(=O)OCC(=O)C6=CC(=CC=C6)[N+](=O)[O-])N=C4C3=CC=C2

InChI

InChI=1S/C27H15N3O5/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/h1-13H,14H2