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

Systemtic Name: 3-methyl-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide Openeye Name: 3-methyl-N-(3-nitro-4-piperazin-1-yl-phenyl)benzamide CAS Name: 3-methyl-N-[3-nitro-4-(1-piperazinyl)phenyl]benzamide IUPAC Name: 3-methyl-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide Traditional Name: 3-methyl-N-(3-nitro-4-piperazino-phenyl)benzamide Formula: C18H20N4O3 MolecularWeight: 340.3764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-13-3-2-4-14(11-13)18(23)20-15-5-6-16(17(12-15)22(24)25)21-9-7-19-8-10-21/h2-6,11-12,19H,7-10H2,1H3,(H,20,23)