4-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile

Systemtic Name: 4-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 4-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C15H13N3O2 MolecularWeight: 267.28262

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CNC(=C3)C#N)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CNC(=C3)C#N)NC(=O)O1)C

InChI

InChI=1S/C15H13N3O2/c1-15(2)12-6-9(10-5-11(7-16)17-8-10)3-4-13(12)18-14(19)20-15/h3-6,8,17H,1-2H3,(H,18,19)