N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(5-methylisoxazol-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(5-methyl-3-isoxazolyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(5-methylisoxazol-3-yl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4/c1-11-9-15(18-25-11)17-16(22)12-3-4-13(14(10-12)21(23)24)20-7-5-19(2)6-8-20/h3-4,9-10H,5-8H2,1-2H3,(H,17,18,22)