methyl 4-[[(4-nitrophenyl)carbonyl-pyrrolidin-3-yl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(4-nitrophenyl)carbonyl-pyrrolidin-3-yl-amino]methyl]benzoate Openeye Name: methyl 4-[[(4-nitrobenzoyl)-pyrrolidin-3-yl-amino]methyl]benzoate CAS Name: 4-[[[(4-nitrophenyl)-oxomethyl]-(3-pyrrolidinyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4-nitrobenzoyl)-pyrrolidin-3-ylamino]methyl]benzoate Traditional Name: 4-[[(4-nitrobenzoyl)-pyrrolidin-3-yl-amino]methyl]benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN(C2CCNC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN(C2CCNC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)16-4-2-14(3-5-16)13-22(18-10-11-21-12-18)19(24)15-6-8-17(9-7-15)23(26)27/h2-9,18,21H,10-13H2,1H3