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

Systemtic Name: methyl 2-[(2-nitrophenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[(2-nitrophenyl)methyl]-3-oxo-butanoate CAS Name: 2-[(2-nitrophenyl)methyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[(2-nitrophenyl)methyl]-3-oxobutanoate Traditional Name: 3-keto-2-(2-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)10(12(15)18-2)7-9-5-3-4-6-11(9)13(16)17/h3-6,10H,7H2,1-2H3