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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c1-12-9-15(5-8-17(12)23(25)26)18(24)21-13(2)14-3-6-16(7-4-14)22-11-19-10-20-22/h3-11,13H,1-2H3,(H,21,24)