(E)-3-azanyl-2-[(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)carbonyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)carbonyl]but-2-enenitrile Openeye Name: (E)-2-(4-allyl-3-oxo-1,4-benzoxazine-6-carbonyl)-3-amino-but-2-enenitrile CAS Name: (E)-3-amino-2-[oxo-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)methyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-(3-oxo-4-prop-2-enyl-1,4-benzoxazine-6-carbonyl)but-2-enenitrile Traditional Name: (E)-2-(4-allyl-3-keto-1,4-benzoxazine-6-carbonyl)-3-amino-but-2-enenitrile Formula: C16H15N3O3 MolecularWeight: 297.3086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC=C)/N

InChI

InChI=1S/C16H15N3O3/c1-3-6-19-13-7-11(16(21)12(8-17)10(2)18)4-5-14(13)22-9-15(19)20/h3-5,7H,1,6,9,18H2,2H3/b12-10+