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

Systemtic Name: 5-(4,4-dimethyl-2-oxidanylidene-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-pyrrole-2-carbonitrile Openeye Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-pyrrole-2-carbonitrile CAS Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynyl-2-pyrrolecarbonitrile IUPAC Name: 5-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)-1-prop-2-ynylpyrrole-2-carbonitrile Traditional Name: 5-(2-keto-4,4-dimethyl-1H-3,1-benzoxazin-6-yl)-1-propargyl-pyrrole-2-carbonitrile Formula: C18H15N3O2 MolecularWeight: 305.3306

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C3=CC=C(N3CC#C)C#N)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C3=CC=C(N3CC#C)C#N)NC(=O)O1)C

InChI

InChI=1S/C18H15N3O2/c1-4-9-21-13(11-19)6-8-16(21)12-5-7-15-14(10-12)18(2,3)23-17(22)20-15/h1,5-8,10H,9H2,2-3H3,(H,20,22)