methyl (Z)-3-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)prop-2-enoate

Systemtic Name: methyl (Z)-3-bromanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)prop-2-enoate Openeye Name: methyl (Z)-3-bromo-2-(tert-butoxycarbonylamino)-3-(1,2,4-triazol-1-yl)prop-2-enoate CAS Name: (Z)-3-bromo-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(1,2,4-triazol-1-yl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1,2,4-triazol-1-yl)prop-2-enoate Traditional Name: (Z)-3-bromo-2-(tert-butoxycarbonylamino)-3-(1,2,4-triazol-1-yl)acrylic acid methyl ester Formula: C11H15BrN4O4 MolecularWeight: 347.1652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=C(N1C=NC=N1)Br)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C(/N1C=NC=N1)\Br)/C(=O)OC

InChI

InChI=1S/C11H15BrN4O4/c1-11(2,3)20-10(18)15-7(9(17)19-4)8(12)16-6-13-5-14-16/h5-6H,1-4H3,(H,15,18)/b8-7+