2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propanenitrile

Systemtic Name: 2-[[3,4-bis(oxidanyl)phenyl]methyl]-3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propanenitrile Openeye Name: 2-[(3,4-dihydroxyphenyl)methyl]-3-indolin-1-yl-3-oxo-propanenitrile CAS Name: 3-(2,3-dihydroindol-1-yl)-2-[(3,4-dihydroxyphenyl)methyl]-3-oxopropanenitrile IUPAC Name: 3-(2,3-dihydroindol-1-yl)-2-[(3,4-dihydroxyphenyl)methyl]-3-oxopropanenitrile Traditional Name: 3-indolin-1-yl-3-keto-2-protocatechuyl-propionitrile Formula: C18H16N2O3 MolecularWeight: 308.33124

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)C(CC3=CC(=C(C=C3)O)O)C#N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)C(CC3=CC(=C(C=C3)O)O)C#N

InChI

InChI=1S/C18H16N2O3/c19-11-14(9-12-5-6-16(21)17(22)10-12)18(23)20-8-7-13-3-1-2-4-15(13)20/h1-6,10,14,21-22H,7-9H2