2-[2-azanyl-3-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]ethanenitrile

Systemtic Name: 2-[2-azanyl-3-(3,4,5-trimethoxyphenyl)carbonyl-phenyl]ethanenitrile Openeye Name: 2-[2-amino-3-(3,4,5-trimethoxybenzoyl)phenyl]acetonitrile CAS Name: 2-[2-amino-3-[oxo-(3,4,5-trimethoxyphenyl)methyl]phenyl]acetonitrile IUPAC Name: 2-[2-amino-3-(3,4,5-trimethoxybenzoyl)phenyl]acetonitrile Traditional Name: 2-[2-amino-3-(3,4,5-trimethoxybenzoyl)phenyl]acetonitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C(=CC=C2)CC#N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C(=CC=C2)CC#N)N

InChI

InChI=1S/C18H18N2O4/c1-22-14-9-12(10-15(23-2)18(14)24-3)17(21)13-6-4-5-11(7-8-19)16(13)20/h4-6,9-10H,7,20H2,1-3H3