3-nitro-N-(2-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(2-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-(2-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-(2-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(2-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-(2-phenoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H15N5O4 MolecularWeight: 401.3749

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O4/c27-21(15-10-11-18(19(12-15)26(28)29)25-14-22-13-23-25)24-17-8-4-5-9-20(17)30-16-6-2-1-3-7-16/h1-14H,(H,24,27)