N-[4-(butanoylamino)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[4-(butanoylamino)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[4-(butanoylamino)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[4-(1-oxobutylamino)phenyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[4-(butanoylamino)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-(4-butyramidophenyl)-3-nitro-4-piperidino-benzamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-2-6-21(27)23-17-8-10-18(11-9-17)24-22(28)16-7-12-19(20(15-16)26(29)30)25-13-4-3-5-14-25/h7-12,15H,2-6,13-14H2,1H3,(H,23,27)(H,24,28)