3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-7-nitro-1,4-benzoxazin-2-one

Systemtic Name: 3-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]-7-nitro-1,4-benzoxazin-2-one Openeye Name: 3-[2-(3-methoxyphenyl)-2-oxo-ethyl]-7-nitro-1,4-benzoxazin-2-one CAS Name: 3-[2-(3-methoxyphenyl)-2-oxoethyl]-7-nitro-1,4-benzoxazin-2-one IUPAC Name: 3-[2-(3-methoxyphenyl)-2-oxoethyl]-7-nitro-1,4-benzoxazin-2-one Traditional Name: 3-[2-keto-2-(3-methoxyphenyl)ethyl]-7-nitro-1,4-benzoxazin-2-one Formula: C17H12N2O6 MolecularWeight: 340.28698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C17H12N2O6/c1-24-12-4-2-3-10(7-12)15(20)9-14-17(21)25-16-8-11(19(22)23)5-6-13(16)18-14/h2-8H,9H2,1H3