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

Systemtic Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxo-ethyl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [2-[1-cyclohexenyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(ethyl)amino]-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [2-[cyclohexen-1-yl(ethyl)amino]-2-keto-ethyl] ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O6/c1-2-23(17-6-4-3-5-7-17)20(25)15-30-21(26)16-8-9-18(19(14-16)24(27)28)22-10-12-29-13-11-22/h6,8-9,14H,2-5,7,10-13,15H2,1H3