(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-])OC

InChI

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