2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-methoxy-4-nitro-phenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-methoxy-4-nitro-phenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(2-methoxy-4-nitro-anilino)prop-2-enenitrile CAS Name: 2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(2-methoxy-4-nitroanilino)-2-propenenitrile IUPAC Name: 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-4-nitroanilino)prop-2-enenitrile Traditional Name: 2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(2-methoxy-4-nitro-anilino)acrylonitrile Formula: C22H13BrN4O5S MolecularWeight: 525.33142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H13BrN4O5S/c1-31-20-8-15(27(29)30)3-4-17(20)25-10-13(9-24)21-26-18(11-33-21)16-7-12-6-14(23)2-5-19(12)32-22(16)28/h2-8,10-11,25H,1H3