2-[2-[[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-3,5-dimethoxy-phenyl]ethanenitrile

Systemtic Name: 2-[2-[[1,3-bis(oxidanylidene)isoindol-2-yl]amino]-3,5-dimethoxy-phenyl]ethanenitrile Openeye Name: 2-[2-[(1,3-dioxoisoindolin-2-yl)amino]-3,5-dimethoxy-phenyl]acetonitrile CAS Name: 2-[2-[(1,3-dioxo-2-isoindolyl)amino]-3,5-dimethoxyphenyl]acetonitrile IUPAC Name: 2-[2-[(1,3-dioxoisoindol-2-yl)amino]-3,5-dimethoxyphenyl]acetonitrile Traditional Name: 2-[3,5-dimethoxy-2-(phthalimidoamino)phenyl]acetonitrile Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)CC#N)NN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)CC#N)NN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C18H15N3O4/c1-24-12-9-11(7-8-19)16(15(10-12)25-2)20-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-6,9-10,20H,7H2,1-2H3