5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(2,4,4-trimethyl-1,2-dihydro-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C16H17N3O MolecularWeight: 267.32568

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Descriptors Computed from Structure

Canonical SMILES:

CC1NC2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)(C)C

Isomeric SMILES

CC1NC2=C(C=C(C=C2)C3=CC=C(N3)C#N)C(O1)(C)C

InChI

InChI=1S/C16H17N3O/c1-10-18-15-6-4-11(8-13(15)16(2,3)20-10)14-7-5-12(9-17)19-14/h4-8,10,18-19H,1-3H3