[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O5/c19-15(17-12-7-3-1-2-4-8-12)11-23-16(20)13-9-5-6-10-14(13)18(21)22/h5-6,9-10,12H,1-4,7-8,11H2,(H,17,19)