1-methyl-3-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-3-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile Openeye Name: 1-methyl-3-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile CAS Name: 1-methyl-3-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-3-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile Traditional Name: 1-methyl-3-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)pyrrole-2-carbonitrile Formula: C17H19N3O MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=C(C=C(C=C2)C3=C(N(C=C3)C)C#N)C(O1)(C)C

Isomeric SMILES

CC1NC2=C(C=C(C=C2)C3=C(N(C=C3)C)C#N)C(O1)(C)C

InChI

InChI=1S/C17H19N3O/c1-11-19-15-6-5-12(9-14(15)17(2,3)21-11)13-7-8-20(4)16(13)10-18/h5-9,11,19H,1-4H3