(E)-N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(6-chloranyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide Openeye Name: (E)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enamide CAS Name: (E)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenamide IUPAC Name: (E)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enamide Traditional Name: (E)-N-(6-chloro-3-keto-4H-1,4-benzoxazin-7-yl)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)NC2=C(C=C3C(=C2)OCC(=O)N3)Cl)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)NC2=C(C=C3C(=C2)OCC(=O)N3)Cl)C

InChI

InChI=1S/C21H21ClN4O3/c1-4-5-26-12(2)6-14(13(26)3)7-15(10-23)21(28)25-17-9-19-18(8-16(17)22)24-20(27)11-29-19/h6-9H,4-5,11H2,1-3H3,(H,24,27)(H,25,28)/b15-7+