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

Systemtic Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[2-(isobutylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[2-[(2-methylpropylamino)-oxomethyl]phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[2-(2-methylpropylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(isobutylcarbamoyl)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4/c1-13(2)10-22-20(28)15-5-3-4-6-16(15)24-19(27)14-7-8-17(18(9-14)26(29)30)25-12-21-11-23-25/h3-9,11-13H,10H2,1-2H3,(H,22,28)(H,24,27)