methyl 2-[(3-nitrophenyl)methyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[(3-nitrophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(3-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(3-nitrophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(3-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: 3-keto-2-(3-nitrobenzyl)butyric acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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