4-bromanyl-5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile

Systemtic Name: 4-bromanyl-5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile Openeye Name: 4-bromo-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile CAS Name: 4-bromo-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methyl-2-pyrrolecarbonitrile IUPAC Name: 4-bromo-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile Traditional Name: 4-bromo-5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile Formula: C16H14BrN3O2 MolecularWeight: 360.20526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3C)C#N)Br)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3C)C#N)Br)NC(=O)O1)C

InChI

InChI=1S/C16H14BrN3O2/c1-16(2)11-6-9(4-5-13(11)19-15(21)22-16)14-12(17)7-10(8-18)20(14)3/h4-7H,1-3H3,(H,19,21)