[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(3-oxidanylidene-4H-1,4-benzoxazin-2-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-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 [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate Traditional Name: 2-(3-keto-4H-1,4-benzoxazin-2-yl)acetic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3C(=O)NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3C(=O)NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O7/c1-12(20(25)22-10-13-6-7-16-17(8-13)28-11-27-16)29-19(24)9-18-21(26)23-14-4-2-3-5-15(14)30-18/h2-8,12,18H,9-11H2,1H3,(H,22,25)(H,23,26)