(4,5-dimethoxy-2-methyl-phenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C20H20N2O8 MolecularWeight: 416.3814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C20H20N2O8/c1-12-6-17(27-2)18(28-3)7-13(12)10-30-20(24)9-21-15-8-14(22(25)26)4-5-16(15)29-11-19(21)23/h4-8H,9-11H2,1-3H3