propan-2-yl 3-(5-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: propan-2-yl 3-(5-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: isopropyl 3-(5-methyl-2-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(5-methyl-2-nitrophenyl)-2-oxopropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(5-methyl-2-nitrophenyl)-2-oxopropanoate Traditional Name: 2-keto-3-(5-methyl-2-nitro-phenyl)propionic acid isopropyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(2)19-13(16)12(15)7-10-6-9(3)4-5-11(10)14(17)18/h4-6,8H,7H2,1-3H3