propan-2-yl 3-(4-nitrophenyl)-2-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-(4-nitrophenyl)-2-oxidanylidene-propanoate Openeye Name: isopropyl 3-(4-nitrophenyl)-2-oxo-propanoate CAS Name: 3-(4-nitrophenyl)-2-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-nitrophenyl)-2-oxopropanoate Traditional Name: 2-keto-3-(4-nitrophenyl)propionic acid isopropyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-8(2)18-12(15)11(14)7-9-3-5-10(6-4-9)13(16)17/h3-6,8H,7H2,1-2H3