[4-[methoxy(methyl)amino]-4-oxidanylidene-but-2-ynyl] 3-(1,3-benzodioxol-5-yl)prop-2-ynoate

Systemtic Name: [4-[methoxy(methyl)amino]-4-oxidanylidene-but-2-ynyl] 3-(1,3-benzodioxol-5-yl)prop-2-ynoate Openeye Name: [4-[methoxy(methyl)amino]-4-oxo-but-2-ynyl] 3-(1,3-benzodioxol-5-yl)prop-2-ynoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-propynoic acid [4-[methoxy(methyl)amino]-4-oxobut-2-ynyl] ester IUPAC Name: [4-[methoxy(methyl)amino]-4-oxobut-2-ynyl] 3-(1,3-benzodioxol-5-yl)prop-2-ynoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propiolic acid [4-keto-4-[methoxy(methyl)amino]but-2-ynyl] ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C#CCOC(=O)C#CC1=CC2=C(C=C1)OCO2)OC

Isomeric SMILES

CN(C(=O)C#CCOC(=O)C#CC1=CC2=C(C=C1)OCO2)OC

InChI

InChI=1S/C16H13NO6/c1-17(20-2)15(18)4-3-9-21-16(19)8-6-12-5-7-13-14(10-12)23-11-22-13/h5,7,10H,9,11H2,1-2H3