methyl 1-[(2-methyl-3-nitro-phenyl)carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(2-methyl-3-nitro-phenyl)carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(2-methyl-3-nitro-benzoyl)amino]cycloheptanecarboxylate CAS Name: 1-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-methyl-3-nitrobenzoyl)amino]cycloheptane-1-carboxylate Traditional Name: 1-[(2-methyl-3-nitro-benzoyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2(CCCCCC2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2(CCCCCC2)C(=O)OC

InChI

InChI=1S/C17H22N2O5/c1-12-13(8-7-9-14(12)19(22)23)15(20)18-17(16(21)24-2)10-5-3-4-6-11-17/h7-9H,3-6,10-11H2,1-2H3,(H,18,20)