N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H17N7O3 MolecularWeight: 403.39408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-])C

InChI

InChI=1S/C20H17N7O3/c1-13-9-14(2)26(24-13)17-6-4-3-5-16(17)23-20(28)15-7-8-18(19(10-15)27(29)30)25-12-21-11-22-25/h3-12H,1-2H3,(H,23,28)