N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-(2-methyl-1,3-benzoxazol-5-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C17H12N6O4 MolecularWeight: 364.31498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O4/c1-10-20-13-7-12(3-5-16(13)27-10)21-17(24)11-2-4-14(15(6-11)23(25)26)22-9-18-8-19-22/h2-9H,1H3,(H,21,24)