3-methyl-4-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]benzamide Openeye Name: 3-methyl-4-nitro-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]benzamide CAS Name: 3-methyl-4-nitro-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]benzamide Traditional Name: N-[6-(3-ketopiperazino)-3-pyridyl]-3-methyl-4-nitro-benzamide Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-11-8-12(2-4-14(11)22(25)26)17(24)20-13-3-5-15(19-9-13)21-7-6-18-16(23)10-21/h2-5,8-9H,6-7,10H2,1H3,(H,18,23)(H,20,24)