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

Systemtic Name: 3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 3-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 3-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 3-nitro-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O5/c23-17(12-2-1-3-14(10-12)21(24)25)19-13-4-5-15(16(11-13)22(26)27)20-8-6-18-7-9-20/h1-5,10-11,18H,6-9H2,(H,19,23)