4-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitro-benzamide Openeye Name: 4-methoxy-3-nitro-N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]benzamide CAS Name: 4-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-3-nitrobenzamide Traditional Name: 4-methoxy-3-nitro-N-[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]benzamide Formula: C17H15N5O4 MolecularWeight: 353.3321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NN2)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4/c1-10-3-5-11(6-4-10)15-18-17(21-20-15)19-16(23)12-7-8-14(26-2)13(9-12)22(24)25/h3-9H,1-2H3,(H2,18,19,20,21,23)