methyl 1-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(3-methoxycarbonyl-5-nitro-phenyl)carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(3-methoxycarbonyl-5-nitro-benzoyl)amino]cycloheptanecarboxylate CAS Name: 1-[[(3-methoxycarbonyl-5-nitrophenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-methoxycarbonyl-5-nitrobenzoyl)amino]cycloheptane-1-carboxylate Traditional Name: 1-[(3-carbomethoxy-5-nitro-benzoyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C18H22N2O7 MolecularWeight: 378.37648

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2(CCCCCC2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2(CCCCCC2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H22N2O7/c1-26-16(22)13-9-12(10-14(11-13)20(24)25)15(21)19-18(17(23)27-2)7-5-3-4-6-8-18/h9-11H,3-8H2,1-2H3,(H,19,21)