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

Systemtic Name: 4-(diethylamino)-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 4-(diethylamino)-3-nitro-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 4-(diethylamino)-3-nitro-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 4-(diethylamino)-3-nitro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 4-(diethylamino)-3-nitro-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C21H26N6O5 MolecularWeight: 442.46834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6O5/c1-3-24(4-2)17-7-5-15(13-19(17)26(29)30)21(28)23-16-6-8-18(20(14-16)27(31)32)25-11-9-22-10-12-25/h5-8,13-14,22H,3-4,9-12H2,1-2H3,(H,23,28)