N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[4-[isopropyl(methyl)carbamoyl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[4-[[methyl(propan-2-yl)amino]-oxomethyl]phenyl]methyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-[isopropyl(methyl)carbamoyl]benzyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O4/c1-16(2)25(3)23(29)18-8-6-17(7-9-18)15-24-22(28)19-10-11-20(21(14-19)27(30)31)26-12-4-5-13-26/h6-11,14,16H,4-5,12-13,15H2,1-3H3,(H,24,28)