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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]-7-nitro-1,4-benzoxazin-2-one Openeye Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxo-ethyl]-7-nitro-1,4-benzoxazin-2-one CAS Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-nitro-1,4-benzoxazin-2-one IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-7-nitro-1,4-benzoxazin-2-one Traditional Name: 3-[2-(3,4-dimethoxyphenyl)-2-keto-ethyl]-7-nitro-1,4-benzoxazin-2-one Formula: C18H14N2O7 MolecularWeight: 370.31296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O7/c1-25-15-6-3-10(7-17(15)26-2)14(21)9-13-18(22)27-16-8-11(20(23)24)4-5-12(16)19-13/h3-8H,9H2,1-2H3