[2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[1-(4-methoxy-4-oxidanylidene-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[1-(4-methoxy-4-oxo-butyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxy-4-oxobutyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[1-(4-keto-4-methoxy-butyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7/c1-13-10-17(14(2)21(13)9-5-8-19(24)28-3)18(23)12-29-20(25)15-6-4-7-16(11-15)22(26)27/h4,6-7,10-11H,5,8-9,12H2,1-3H3