methyl 5-(2-nitrophenyl)-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(2-nitrophenyl)-4-oxidanylidene-pentanoate Openeye Name: methyl 5-(2-nitrophenyl)-4-oxo-pentanoate CAS Name: 5-(2-nitrophenyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(2-nitrophenyl)-4-oxopentanoate Traditional Name: 4-keto-5-(2-nitrophenyl)valeric acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)CC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC(=O)CC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-18-12(15)7-6-10(14)8-9-4-2-3-5-11(9)13(16)17/h2-5H,6-8H2,1H3