O2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-isopropyl O2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-isopropyl ester O2-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C21H22N2O7/c1-10(2)30-20(26)18-11(3)19(22-12(18)4)21(27)29-8-15(24)13-5-6-16-14(7-13)23-17(25)9-28-16/h5-7,10,22H,8-9H2,1-4H3,(H,23,25)