tert-butyl 3-[3-(2-methylpropyl)-4-oxidanidyl-2-oxidanylidene-pyrazin-4-ium-1-yl]-1H-indole-2-carboxylate

Systemtic Name: tert-butyl 3-[3-(2-methylpropyl)-4-oxidanidyl-2-oxidanylidene-pyrazin-4-ium-1-yl]-1H-indole-2-carboxylate Openeye Name: tert-butyl 3-(3-isobutyl-4-oxido-2-oxo-pyrazin-4-ium-1-yl)-1H-indole-2-carboxylate CAS Name: 3-[3-(2-methylpropyl)-4-oxido-2-oxo-1-pyrazin-4-iumyl]-1H-indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(2-methylpropyl)-4-oxido-2-oxopyrazin-4-ium-1-yl]-1H-indole-2-carboxylate Traditional Name: 3-(3-isobutyl-2-keto-4-oxido-pyrazin-4-ium-1-yl)-1H-indole-2-carboxylic acid tert-butyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C=CN(C1=O)C2=C(NC3=CC=CC=C32)C(=O)OC(C)(C)C)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C=CN(C1=O)C2=C(NC3=CC=CC=C32)C(=O)OC(C)(C)C)[O-]

InChI

InChI=1S/C21H25N3O4/c1-13(2)12-16-19(25)23(10-11-24(16)27)18-14-8-6-7-9-15(14)22-17(18)20(26)28-21(3,4)5/h6-11,13,22H,12H2,1-5H3