N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]pentanamide

Systemtic Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]pentanamide Openeye Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]pentanamide CAS Name: N-[(E)-[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]pentanamide IUPAC Name: N-[(E)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]pentanamide Traditional Name: N-[(E)-[2-(azepan-1-yl)-5-nitro-benzylidene]amino]valeramide Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCCC2

Isomeric SMILES

CCCCC(=O)N/N=C/C1=C(C=CC(=C1)[N+](=O)[O-])N2CCCCCC2

InChI

InChI=1S/C18H26N4O3/c1-2-3-8-18(23)20-19-14-15-13-16(22(24)25)9-10-17(15)21-11-6-4-5-7-12-21/h9-10,13-14H,2-8,11-12H2,1H3,(H,20,23)/b19-14+