[2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-[1-[2-(1-cyclohexenyl)ethyl]-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[1-[2-(cyclohexen-1-yl)ethyl]-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O6/c1-16-13-20(17(2)25(16)12-11-18-7-5-4-6-8-18)22(27)15-32-24(28)19-9-10-23(31-3)21(14-19)26(29)30/h7,9-10,13-14H,4-6,8,11-12,15H2,1-3H3