[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] (1S)-cyclohex-3-ene-1-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] (1S)-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-1-cyclohex-3-enecarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate Traditional Name: (1S)-cyclohex-3-ene-1-carboxylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H](CC=C1)C(=O)OCC(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5/c21-16(12-25-17(22)13-4-2-1-3-5-13)19-11-10-18-14-6-8-15(9-7-14)20(23)24/h1-2,6-9,13,18H,3-5,10-12H2,(H,19,21)/t13-/m1/s1