N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]-5-nitro-2-pyrrolidino-benzamide Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3)N4CCCC4=O

InChI

InChI=1S/C22H24N4O4/c1-15-13-16(6-8-19(15)25-12-4-5-21(25)27)23-22(28)18-14-17(26(29)30)7-9-20(18)24-10-2-3-11-24/h6-9,13-14H,2-5,10-12H2,1H3,(H,23,28)