N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H20N6O5 MolecularWeight: 436.4207

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCN1C=NN=C1C2=CC(=CC=C2)NC(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H20N6O5/c1-2-25-13-22-24-20(25)14-5-3-6-15(11-14)23-19(28)7-4-10-26-17-9-8-16(27(30)31)12-18(17)32-21(26)29/h3,5-6,8-9,11-13H,2,4,7,10H2,1H3,(H,23,28)