[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 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 [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 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 [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H20N2O7/c1-12-6-14(3)16(7-13(12)2)18(24)10-30-21(26)9-22-17-8-15(23(27)28)4-5-19(17)29-11-20(22)25/h4-8H,9-11H2,1-3H3