N-(2-azanylethyl)-1-ethanoyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-ethanoyl-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(2-aminoethyl)-4-[isobutyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(2-aminoethyl)-4-[2-methylpropyl-[(4-nitrophenyl)methyl]amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(2-aminoethyl)-4-[isobutyl-(4-nitrobenzyl)amino]pyrrolidine-2-carboxamide Formula: C20H31N5O4 MolecularWeight: 405.49124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C)C(=O)NCCN

Isomeric SMILES

CC(C)CN(CC1=CC=C(C=C1)[N+](=O)[O-])C2CC(N(C2)C(=O)C)C(=O)NCCN

InChI

InChI=1S/C20H31N5O4/c1-14(2)11-23(12-16-4-6-17(7-5-16)25(28)29)18-10-19(20(27)22-9-8-21)24(13-18)15(3)26/h4-7,14,18-19H,8-13,21H2,1-3H3,(H,22,27)