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

Systemtic Name: 3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[3-(1-pyrazolylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[3-(pyrazol-1-ylmethyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C19H15N7O3 MolecularWeight: 389.3675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])CN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])CN4C=CC=N4

InChI

InChI=1S/C19H15N7O3/c27-19(23-16-4-1-3-14(9-16)11-24-8-2-7-21-24)15-5-6-17(18(10-15)26(28)29)25-13-20-12-22-25/h1-10,12-13H,11H2,(H,23,27)