methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]pent-4-ynoate

Systemtic Name: methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridin-2-yl]carbonylamino]pent-4-ynoate Openeye Name: methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]pent-4-ynoate CAS Name: 2-[[[1-(1,3-benzodioxol-5-ylmethyl)-2-aziridinyl]-oxomethyl]amino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[1-(1,3-benzodioxol-5-ylmethyl)aziridine-2-carbonyl]amino]pent-4-ynoate Traditional Name: 2-[(1-piperonylethylenimine-2-carbonyl)amino]pent-4-ynoic acid methyl ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)NC(=O)C1CN1CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC(=O)C(CC#C)NC(=O)C1CN1CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O5/c1-3-4-12(17(21)22-2)18-16(20)13-9-19(13)8-11-5-6-14-15(7-11)24-10-23-14/h1,5-7,12-13H,4,8-10H2,2H3,(H,18,20)