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

Systemtic Name: 4-bromanyl-5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 4-bromo-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 4-bromo-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 4-bromo-5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 4-bromo-5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C15H12BrN3O2 MolecularWeight: 346.17868

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3)C#N)Br)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=C(C=C(N3)C#N)Br)NC(=O)O1)C

InChI

InChI=1S/C15H12BrN3O2/c1-15(2)10-5-8(3-4-12(10)19-14(20)21-15)13-11(16)6-9(7-17)18-13/h3-6,18H,1-2H3,(H,19,20)