[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-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(17-13-7-3-1-2-4-8-13)11-23-16(20)12-6-5-9-14(10-12)18(21)22/h5-6,9-10,13H,1-4,7-8,11H2,(H,17,19)