methyl 2-[(2-nitrophenyl)methyl]-3-oxidanylidene-cycloheptane-1-carboxylate

Systemtic Name: methyl 2-[(2-nitrophenyl)methyl]-3-oxidanylidene-cycloheptane-1-carboxylate Openeye Name: methyl 2-[(2-nitrophenyl)methyl]-3-oxo-cycloheptanecarboxylate CAS Name: 2-[(2-nitrophenyl)methyl]-3-oxo-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-nitrophenyl)methyl]-3-oxocycloheptane-1-carboxylate Traditional Name: 3-keto-2-(2-nitrobenzyl)cycloheptanecarboxylic acid methyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCC(=O)C1CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1CCCCC(=O)C1CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H19NO5/c1-22-16(19)12-7-3-5-9-15(18)13(12)10-11-6-2-4-8-14(11)17(20)21/h2,4,6,8,12-13H,3,5,7,9-10H2,1H3