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

Systemtic Name: N-[3-azanyl-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-4-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-oxo-propyl]-4-bromo-benzamide CAS Name: N-[3-amino-1-[4-(1-azocanyl)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(azocan-1-yl)-3-nitrophenyl]-3-oxopropyl]-4-bromobenzamide Traditional Name: N-[3-amino-1-[4-(azocan-1-yl)-3-nitro-phenyl]-3-keto-propyl]-4-bromo-benzamide Formula: C23H27BrN4O4 MolecularWeight: 503.38888

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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=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O4/c24-18-9-6-16(7-10-18)23(30)26-19(15-22(25)29)17-8-11-20(21(14-17)28(31)32)27-12-4-2-1-3-5-13-27/h6-11,14,19H,1-5,12-13,15H2,(H2,25,29)(H,26,30)