[3-nitro-4-(3-phenylpropyl)-1,2-dihydropyridin-2-yl] 3,3-dimethyl-2-oxidanylidene-butanoate

Systemtic Name: [3-nitro-4-(3-phenylpropyl)-1,2-dihydropyridin-2-yl] 3,3-dimethyl-2-oxidanylidene-butanoate Openeye Name: [3-nitro-4-(3-phenylpropyl)-1,2-dihydropyridin-2-yl] 3,3-dimethyl-2-oxo-butanoate CAS Name: 3,3-dimethyl-2-oxobutanoic acid [3-nitro-4-(3-phenylpropyl)-1,2-dihydropyridin-2-yl] ester IUPAC Name: [3-nitro-4-(3-phenylpropyl)-1,2-dihydropyridin-2-yl] 3,3-dimethyl-2-oxobutanoate Traditional Name: 2-keto-3,3-dimethyl-butyric acid [3-nitro-4-(3-phenylpropyl)-1,2-dihydropyridin-2-yl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=O)OC1C(=C(C=CN1)CCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)C(=O)OC1C(=C(C=CN1)CCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-20(2,3)17(23)19(24)27-18-16(22(25)26)15(12-13-21-18)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13,18,21H,7,10-11H2,1-3H3