1,1-dimethyl-5-nitro-8-(1,2,4-triazol-1-ylmethyl)benzo[e][1]benzofuran-2-one

Systemtic Name: 1,1-dimethyl-5-nitro-8-(1,2,4-triazol-1-ylmethyl)benzo[e][1]benzofuran-2-one Openeye Name: 1,1-dimethyl-5-nitro-8-(1,2,4-triazol-1-ylmethyl)benzo[e]benzofuran-2-one CAS Name: 1,1-dimethyl-5-nitro-8-(1,2,4-triazol-1-ylmethyl)-2-benzo[e]benzofuranone IUPAC Name: 1,1-dimethyl-5-nitro-8-(1,2,4-triazol-1-ylmethyl)benzo[e][1]benzofuran-2-one Traditional Name: 1,1-dimethyl-5-nitro-8-(1,2,4-triazol-1-ylmethyl)benzo[e]benzofuran-2-one Formula: C17H14N4O4 MolecularWeight: 338.31746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C3=C2C=C(C=C3)CN4C=NC=N4)[N+](=O)[O-])OC1=O)C

Isomeric SMILES

CC1(C2=C(C=C(C3=C2C=C(C=C3)CN4C=NC=N4)[N+](=O)[O-])OC1=O)C

InChI

InChI=1S/C17H14N4O4/c1-17(2)15-12-5-10(7-20-9-18-8-19-20)3-4-11(12)13(21(23)24)6-14(15)25-16(17)22/h3-6,8-9H,7H2,1-2H3