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

Systemtic Name: 3-methyl-4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 3-methyl-4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 3-methyl-4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 3-methyl-4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 3-methyl-4-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Formula: C17H15N5O3 MolecularWeight: 337.3327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3/c1-12-8-14(4-7-16(12)22(24)25)17(23)20-15-5-2-13(3-6-15)9-21-11-18-10-19-21/h2-8,10-11H,9H2,1H3,(H,20,23)