[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 4-nitrobenzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5/c1-12(16(20)18-14-6-4-2-3-5-7-14)24-17(21)13-8-10-15(11-9-13)19(22)23/h8-12,14H,2-7H2,1H3,(H,18,20)