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

Systemtic Name: N-[5-(butanoylamino)-2-chloranyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[5-(butanoylamino)-2-chloro-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-chloro-5-(1-oxobutylamino)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[5-(butanoylamino)-2-chlorophenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-butyramido-2-chloro-phenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4/c1-2-5-20(27)23-15-7-8-16(22)17(13-15)24-21(28)14-6-9-18(19(12-14)26(29)30)25-10-3-4-11-25/h6-9,12-13H,2-5,10-11H2,1H3,(H,23,27)(H,24,28)