N-(3-nitro-4-piperazin-1-yl-phenyl)propanamide

Systemtic Name: N-(3-nitro-4-piperazin-1-yl-phenyl)propanamide Openeye Name: N-(3-nitro-4-piperazin-1-yl-phenyl)propanamide CAS Name: N-[3-nitro-4-(1-piperazinyl)phenyl]propanamide IUPAC Name: N-(3-nitro-4-piperazin-1-ylphenyl)propanamide Traditional Name: N-(3-nitro-4-piperazino-phenyl)propionamide Formula: C13H18N4O3 MolecularWeight: 278.30702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)N2CCNCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c1-2-13(18)15-10-3-4-11(12(9-10)17(19)20)16-7-5-14-6-8-16/h3-4,9,14H,2,5-8H2,1H3,(H,15,18)