(E)-3-azanyl-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(2-oxidanylidene-4-propyl-chromen-7-yl)oxyethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(2-oxo-4-propyl-chromen-7-yl)oxyacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(2-oxo-4-propyl-1-benzopyran-7-yl)oxy]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(2-keto-4-propyl-chromen-7-yl)oxyacetyl]but-2-enenitrile Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C18H18N2O4/c1-3-4-12-7-18(22)24-17-8-13(5-6-14(12)17)23-10-16(21)15(9-19)11(2)20/h5-8H,3-4,10,20H2,1-2H3/b15-11+