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

Systemtic Name: 4-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: 4-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O2/c1-16(2)13-7-10(4-5-14(13)18-15(20)21-16)11-6-12(8-17)19(3)9-11/h4-7,9H,1-3H3,(H,18,20)