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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NNC(=N2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

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