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

Systemtic Name: 5-(4,4-diethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile CAS Name: 5-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile IUPAC Name: 5-(4,4-diethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Traditional Name: 5-(4,4-diethyl-2-keto-1H-3,1-benzoxazin-6-yl)-1H-pyrrole-2-carbonitrile Formula: C17H17N3O2 MolecularWeight: 295.33578

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2/c1-3-17(4-2)13-9-11(14-8-6-12(10-18)19-14)5-7-15(13)20-16(21)22-17/h5-9,19H,3-4H2,1-2H3,(H,20,21)