methyl 1-[(2-nitrophenyl)methyl]-2-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(2-nitrophenyl)methyl]-2-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl 1-[(2-nitrophenyl)methyl]-2-oxo-cyclohexanecarboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-2-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-nitrophenyl)methyl]-2-oxocyclohexane-1-carboxylate Traditional Name: 2-keto-1-(2-nitrobenzyl)cyclohexanecarboxylic acid methyl ester Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H17NO5/c1-21-14(18)15(9-5-4-8-13(15)17)10-11-6-2-3-7-12(11)16(19)20/h2-3,6-7H,4-5,8-10H2,1H3