(4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-22(2)18-10-9-17(13-19(18)24(27)28)21(26)29-14-15-5-7-16(8-6-15)20(25)23-11-3-4-12-23/h5-10,13H,3-4,11-12,14H2,1-2H3