[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H17ClN2O5/c1-12(21(26)24-19-10-8-15(25(28)29)11-18(19)23)30-22(27)17-9-7-14-6-5-13-3-2-4-16(17)20(13)14/h2-4,7-12H,5-6H2,1H3,(H,24,26)