(2R)-N-(2-benzamidoethyl)-1-(4-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(2-benzamidoethyl)-1-(4-nitrophenyl)carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(2-benzamidoethyl)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-(2-benzamidoethyl)-1-[(4-nitrophenyl)-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(2-benzamidoethyl)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(2-benzamidoethyl)-1-(4-nitrobenzoyl)pyrrolidine-2-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5/c26-19(15-5-2-1-3-6-15)22-12-13-23-20(27)18-7-4-14-24(18)21(28)16-8-10-17(11-9-16)25(29)30/h1-3,5-6,8-11,18H,4,7,12-14H2,(H,22,26)(H,23,27)/t18-/m1/s1