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

Systemtic Name: N-[3-azanyl-1-[4-(4-bromanylpiperidin-1-yl)-3-nitro-phenyl]-3-oxidanylidene-propyl]-3-bromanyl-benzamide Openeye Name: N-[3-amino-1-[4-(4-bromo-1-piperidyl)-3-nitro-phenyl]-3-oxo-propyl]-3-bromo-benzamide CAS Name: N-[3-amino-1-[4-(4-bromo-1-piperidinyl)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide IUPAC Name: N-[3-amino-1-[4-(4-bromopiperidin-1-yl)-3-nitrophenyl]-3-oxopropyl]-3-bromobenzamide Traditional Name: N-[3-amino-1-[4-(4-bromopiperidino)-3-nitro-phenyl]-3-keto-propyl]-3-bromo-benzamide Formula: C21H22Br2N4O4 MolecularWeight: 554.23178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1Br)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1Br)C2=C(C=C(C=C2)C(CC(=O)N)NC(=O)C3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H22Br2N4O4/c22-15-6-8-26(9-7-15)18-5-4-13(11-19(18)27(30)31)17(12-20(24)28)25-21(29)14-2-1-3-16(23)10-14/h1-5,10-11,15,17H,6-9,12H2,(H2,24,28)(H,25,29)