4-(3-nitro-5-phenoxy-1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 4-(3-nitro-5-phenoxy-1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-(3-nitro-5-phenoxy-1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-(3-nitro-5-phenoxy-1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-(3-nitro-5-phenoxy-1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-(3-nitro-5-phenoxy-1,2,4-triazol-1-yl)butan-2-one Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

CC(=O)CCN1C(=NC(=N1)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C12H12N4O4/c1-9(17)7-8-15-12(13-11(14-15)16(18)19)20-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3