(Z)-2-[(4-bromanyl-8-methoxy-2,2-dimethyl-chromen-6-yl)methyl]-3-phenylazanyl-prop-2-enenitrile

Systemtic Name: (Z)-2-[(4-bromanyl-8-methoxy-2,2-dimethyl-chromen-6-yl)methyl]-3-phenylazanyl-prop-2-enenitrile Openeye Name: (Z)-3-anilino-2-[(4-bromo-8-methoxy-2,2-dimethyl-chromen-6-yl)methyl]prop-2-enenitrile CAS Name: (Z)-3-anilino-2-[(4-bromo-8-methoxy-2,2-dimethyl-1-benzopyran-6-yl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-anilino-2-[(4-bromo-8-methoxy-2,2-dimethylchromen-6-yl)methyl]prop-2-enenitrile Traditional Name: (Z)-3-anilino-2-[(4-bromo-8-methoxy-2,2-dimethyl-chromen-6-yl)methyl]acrylonitrile Formula: C22H21BrN2O2 MolecularWeight: 425.31834

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=CC(=CC(=C2O1)OC)CC(=CNC3=CC=CC=C3)C#N)Br)C

Isomeric SMILES

CC1(C=C(C2=CC(=CC(=C2O1)OC)C/C(=C/NC3=CC=CC=C3)/C#N)Br)C

InChI

InChI=1S/C22H21BrN2O2/c1-22(2)12-19(23)18-10-15(11-20(26-3)21(18)27-22)9-16(13-24)14-25-17-7-5-4-6-8-17/h4-8,10-12,14,25H,9H2,1-3H3/b16-14-