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

Systemtic Name: 2-methyl-3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide CAS Name: 2-methyl-3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

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

InChI

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