N-[3-azanyl-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: N-[3-azanyl-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-amino-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-oxo-propyl]benzamide CAS Name: N-[3-amino-1-[4-(1-azocanyl)-3-nitrophenyl]-3-oxopropyl]benzamide IUPAC Name: N-[3-amino-1-[4-(azocan-1-yl)-3-nitrophenyl]-3-oxopropyl]benzamide Traditional Name: N-[3-amino-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-keto-propyl]benzamide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c24-22(28)16-19(25-23(29)17-9-5-4-6-10-17)18-11-12-20(21(15-18)27(30)31)26-13-7-2-1-3-8-14-26/h4-6,9-12,15,19H,1-3,7-8,13-14,16H2,(H2,24,28)(H,25,29)