3-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide

Systemtic Name: 3-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide CAS Name: 3-methyl-4-nitro-N-[4-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O4/c1-12-9-14(3-8-17(12)25(28)29)19(27)23-16-6-4-15(5-7-16)22-18(26)13(2)24-11-20-10-21-24/h3-11,13H,1-2H3,(H,22,26)(H,23,27)