[2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C18H23N3O5 MolecularWeight: 361.39232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O5/c1-3-20(14-7-5-4-6-8-14)17(22)12-26-18(23)13-9-10-15(19-2)16(11-13)21(24)25/h7,9-11,19H,3-6,8,12H2,1-2H3