[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C22H24N2O7 MolecularWeight: 428.43516

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)O[C@H](C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O7/c1-3-13-30-19-9-7-16(8-10-19)20(25)11-12-21(26)31-15(2)22(27)23-17-5-4-6-18(14-17)24(28)29/h4-10,14-15H,3,11-13H2,1-2H3,(H,23,27)/t15-/m1/s1