dimethyl 2-[5-[(3-nitrophenyl)amino]-3-oxidanylidene-5-phenyl-pentyl]propanedioate

Systemtic Name: dimethyl 2-[5-[(3-nitrophenyl)amino]-3-oxidanylidene-5-phenyl-pentyl]propanedioate Openeye Name: dimethyl 2-[5-(3-nitroanilino)-3-oxo-5-phenyl-pentyl]propanedioate CAS Name: 2-[5-(3-nitroanilino)-3-oxo-5-phenylpentyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(3-nitroanilino)-3-oxo-5-phenylpentyl]propanedioate Traditional Name: 2-[3-keto-5-(3-nitroanilino)-5-phenyl-pentyl]malonic acid dimethyl ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)CC(C1=CC=CC=C1)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C(CCC(=O)CC(C1=CC=CC=C1)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H24N2O7/c1-30-21(26)19(22(27)31-2)12-11-18(25)14-20(15-7-4-3-5-8-15)23-16-9-6-10-17(13-16)24(28)29/h3-10,13,19-20,23H,11-12,14H2,1-2H3