ethyl 3-(5-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(5-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-(5-methyl-2-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(5-methyl-2-nitrophenyl)-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(5-methyl-2-nitrophenyl)-2-oxopropanoate Traditional Name: 2-keto-3-(5-methyl-2-nitro-phenyl)propionic acid ethyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-3-18-12(15)11(14)7-9-6-8(2)4-5-10(9)13(16)17/h4-6H,3,7H2,1-2H3