2-chloranyl-5-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide

Systemtic Name: 2-chloranyl-5-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 2-chloro-5-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 2-chloro-5-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 2-chloro-5-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 2-chloro-5-nitro-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C17H16ClN5O5 MolecularWeight: 405.79244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN5O5/c18-14-3-2-12(22(25)26)10-13(14)17(24)20-11-1-4-15(16(9-11)23(27)28)21-7-5-19-6-8-21/h1-4,9-10,19H,5-8H2,(H,20,24)