3-[[(2R)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: 3-[[(2R)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Openeye Name: 3-[[(1R)-1-(1H-indol-3-ylmethyl)-2-oxido-2-oxo-ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate CAS Name: 3-[[[(2R)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]-1-methyl-4-pyrazolecarboxylate IUPAC Name: 3-[[(2R)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]carbamoyl]-1-methylpyrazole-4-carboxylate Traditional Name: 3-[[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-2-oxido-ethyl]carbamoyl]-1-methyl-pyrazole-4-carboxylate Formula: C17H14N4O5-2 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C17H16N4O5/c1-21-8-11(16(23)24)14(20-21)15(22)19-13(17(25)26)6-9-7-18-12-5-3-2-4-10(9)12/h2-5,7-8,13,18H,6H2,1H3,(H,19,22)(H,23,24)(H,25,26)/p-2/t13-/m1/s1