3-(5-azanyl-3-methylidene-1-oxidanylidene-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanenitrile

Systemtic Name: 3-(5-azanyl-3-methylidene-1-oxidanylidene-isoindol-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanenitrile Openeye Name: 3-(5-amino-3-methylene-1-oxo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanenitrile CAS Name: 3-(5-amino-3-methylene-1-oxo-2-isoindolyl)-3-(3-ethoxy-4-methoxyphenyl)propanenitrile IUPAC Name: 3-(5-amino-3-methylidene-1-oxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanenitrile Traditional Name: 3-(5-amino-1-keto-3-methylene-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=C)C3=C(C2=O)C=CC(=C3)N)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC#N)N2C(=C)C3=C(C2=O)C=CC(=C3)N)OC

InChI

InChI=1S/C21H21N3O3/c1-4-27-20-11-14(5-8-19(20)26-3)18(9-10-22)24-13(2)17-12-15(23)6-7-16(17)21(24)25/h5-8,11-12,18H,2,4,9,23H2,1,3H3