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

Systemtic Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(2-furylmethyl)amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[1-cyclohexenyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[cyclohexen-1-yl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)N(CC2=CC=CO2)C3=CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O7/c1-28-19-10-9-15(12-18(19)23(26)27)21(25)30-14-20(24)22(13-17-8-5-11-29-17)16-6-3-2-4-7-16/h5-6,8-12H,2-4,7,13-14H2,1H3