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

Systemtic Name: 3-methyl-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3-methyl-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3-methyl-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 3-methyl-2-nitro-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3-methyl-2-nitro-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NCC2=CC=C(C=C2)CN3C=NC=N3

InChI

InChI=1S/C18H17N5O3/c1-13-3-2-4-16(17(13)23(25)26)18(24)20-9-14-5-7-15(8-6-14)10-22-12-19-11-21-22/h2-8,11-12H,9-10H2,1H3,(H,20,24)