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

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 4-(methylamino)-3-nitro-benzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-21-17-9-8-16(12-18(17)23(26)27)20(25)28-13-14-4-6-15(7-5-14)19(24)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11,13H2,1H3