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

Systemtic Name: 4-methoxy-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 4-methoxy-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 4-methoxy-3-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 4-methoxy-3-nitro-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C18H19N5O6 MolecularWeight: 401.37336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O6/c1-29-17-5-2-12(10-16(17)23(27)28)18(24)20-13-3-4-14(15(11-13)22(25)26)21-8-6-19-7-9-21/h2-5,10-11,19H,6-9H2,1H3,(H,20,24)