ethyl 2-(4-methoxyphenyl)carbonyl-4-nitro-3-pyridin-3-yl-butanoate

Systemtic Name: ethyl 2-(4-methoxyphenyl)carbonyl-4-nitro-3-pyridin-3-yl-butanoate Openeye Name: ethyl 2-(4-methoxybenzoyl)-4-nitro-3-(3-pyridyl)butanoate CAS Name: 2-[(4-methoxyphenyl)-oxomethyl]-4-nitro-3-(3-pyridinyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methoxybenzoyl)-4-nitro-3-pyridin-3-ylbutanoate Traditional Name: 4-nitro-2-p-anisoyl-3-(3-pyridyl)butyric acid ethyl ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C[N+](=O)[O-])C1=CN=CC=C1)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C(C(C[N+](=O)[O-])C1=CN=CC=C1)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H20N2O6/c1-3-27-19(23)17(18(22)13-6-8-15(26-2)9-7-13)16(12-21(24)25)14-5-4-10-20-11-14/h4-11,16-17H,3,12H2,1-2H3