[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c17-11-16(8-4-1-5-9-16)18-14(20)10-24-15(21)12-6-2-3-7-13(12)19(22)23/h2-3,6-7H,1,4-5,8-10H2,(H,18,20)