2-[5-bromanyl-3-oxidanyl-2-oxidanylidene-1-[[1-(phenylmethyl)-1,2,3-triazol-4-yl]methyl]indol-3-yl]prop-2-enenitrile

Systemtic Name: 2-[5-bromanyl-3-oxidanyl-2-oxidanylidene-1-[[1-(phenylmethyl)-1,2,3-triazol-4-yl]methyl]indol-3-yl]prop-2-enenitrile Openeye Name: 2-[1-[(1-benzyltriazol-4-yl)methyl]-5-bromo-3-hydroxy-2-oxo-indolin-3-yl]prop-2-enenitrile CAS Name: 2-[5-bromo-3-hydroxy-2-oxo-1-[[1-(phenylmethyl)-4-triazolyl]methyl]-3-indolyl]-2-propenenitrile IUPAC Name: 2-[1-[(1-benzyltriazol-4-yl)methyl]-5-bromo-3-hydroxy-2-oxoindol-3-yl]prop-2-enenitrile Traditional Name: 2-[1-[(1-benzyltriazol-4-yl)methyl]-5-bromo-3-hydroxy-2-keto-indolin-3-yl]acrylonitrile Formula: C21H16BrN5O2 MolecularWeight: 450.28804

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#N)C1(C2=C(C=CC(=C2)Br)N(C1=O)CC3=CN(N=N3)CC4=CC=CC=C4)O

Isomeric SMILES

C=C(C#N)C1(C2=C(C=CC(=C2)Br)N(C1=O)CC3=CN(N=N3)CC4=CC=CC=C4)O

InChI

InChI=1S/C21H16BrN5O2/c1-14(10-23)21(29)18-9-16(22)7-8-19(18)27(20(21)28)13-17-12-26(25-24-17)11-15-5-3-2-4-6-15/h2-9,12,29H,1,11,13H2