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

Systemtic Name: methyl 1-[(2-nitrophenyl)methyl]-2-oxidanylidene-cycloheptane-1-carboxylate Openeye Name: methyl 1-[(2-nitrophenyl)methyl]-2-oxo-cycloheptanecarboxylate CAS Name: 1-[(2-nitrophenyl)methyl]-2-oxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-nitrophenyl)methyl]-2-oxocycloheptane-1-carboxylate Traditional Name: 2-keto-1-(2-nitrobenzyl)cycloheptanecarboxylic acid methyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1(CCCCCC1=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-22-15(19)16(10-6-2-3-9-14(16)18)11-12-7-4-5-8-13(12)17(20)21/h4-5,7-8H,2-3,6,9-11H2,1H3