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

Systemtic Name: 3-methyl-4-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 3-methyl-4-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 3-methyl-4-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 3-methyl-4-nitro-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C18H19N5O5 MolecularWeight: 385.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O5/c1-12-10-13(2-4-15(12)22(25)26)18(24)20-14-3-5-16(17(11-14)23(27)28)21-8-6-19-7-9-21/h2-5,10-11,19H,6-9H2,1H3,(H,20,24)