[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate CAS Name: 9-acenaphthyleno[1,2-b]quinoxalinecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] acenaphthyleno[1,2-b]quinoxaline-9-carboxylate Traditional Name: acenaphtho[1,2-b]quinoxaline-9-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C28H17N3O5 MolecularWeight: 475.45168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C4C5=CC=CC6=C5C(=CC=C6)C4=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC3=C(C=C2)N=C4C5=CC=CC6=C5C(=CC=C6)C4=N3)[N+](=O)[O-]

InChI

InChI=1S/C28H17N3O5/c1-15-8-9-17(13-23(15)31(34)35)24(32)14-36-28(33)18-10-11-21-22(12-18)30-27-20-7-3-5-16-4-2-6-19(25(16)20)26(27)29-21/h2-13H,14H2,1H3