N-[3-methoxy-4-(pentanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-methoxy-4-(1-oxopentylamino)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-methoxy-4-(pentanoylamino)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-methoxy-4-(valerylamino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-3-4-7-22(28)25-18-10-9-17(15-21(18)32-2)24-23(29)16-8-11-19(20(14-16)27(30)31)26-12-5-6-13-26/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,24,29)(H,25,28)