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

Systemtic Name: 4-chloranyl-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 4-chloro-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 4-chloro-3-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

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