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

Systemtic Name: [2-[1-(3-methoxy-3-oxidanylidene-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[1-(3-methoxy-3-oxo-propyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3-methoxy-3-oxopropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[1-(3-keto-3-methoxy-propyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)OC)C)C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O7/c1-12-9-16(13(2)20(12)8-7-18(23)27-3)17(22)11-28-19(24)14-5-4-6-15(10-14)21(25)26/h4-6,9-10H,7-8,11H2,1-3H3