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

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5/c1-3-24(4-2)21-12-11-19(26(29)30)15-20(21)23(28)31-16-17-7-9-18(10-8-17)22(27)25-13-5-6-14-25/h7-12,15H,3-6,13-14,16H2,1-2H3