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

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C)C

InChI

InChI=1S/C22H22N2O7/c1-13-9-15(3)17(10-14(13)2)19(25)12-30-21(26)5-4-8-23-18-7-6-16(24(28)29)11-20(18)31-22(23)27/h6-7,9-11H,4-5,8,12H2,1-3H3