3-bromanyl-4-methoxy-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 3-bromo-4-methoxy-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 3-bromo-4-methoxy-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 3-bromo-4-methoxy-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C18H19BrN4O4 MolecularWeight: 435.27186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H19BrN4O4/c1-27-17-5-2-12(10-14(17)19)18(24)21-13-3-4-15(16(11-13)23(25)26)22-8-6-20-7-9-22/h2-5,10-11,20H,6-9H2,1H3,(H,21,24)