[2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate

Systemtic Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate CAS Name: 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid [2-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)acetic acid [2-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O5/c1-12-9-15(13(2)23(12)14-7-8-14)17(24)11-27-20(25)10-19-21(26)22-16-5-3-4-6-18(16)28-19/h3-6,9,14,19H,7-8,10-11H2,1-2H3,(H,22,26)