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

Systemtic Name: 5-(4-ethyl-4-methyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(4-ethyl-4-methyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(4-ethyl-4-methyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(4-ethyl-4-methyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(4-ethyl-2-keto-4-methyl-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)O1)C

Isomeric SMILES

CCC1(C2=C(C=CC(=C2)C3=CC=C(N3)C#N)NC(=O)O1)C

InChI

InChI=1S/C16H15N3O2/c1-3-16(2)12-8-10(13-7-5-11(9-17)18-13)4-6-14(12)19-15(20)21-16/h4-8,18H,3H2,1-2H3,(H,19,20)