2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(2-methyl-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-methyl-4-nitro-phenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(2-methyl-4-nitro-anilino)prop-2-enenitrile CAS Name: 2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(2-methyl-4-nitroanilino)-2-propenenitrile IUPAC Name: 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(2-methyl-4-nitroanilino)prop-2-enenitrile Traditional Name: 2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(2-methyl-4-nitro-anilino)acrylonitrile Formula: C22H13BrN4O4S MolecularWeight: 509.33202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C22H13BrN4O4S/c1-12-6-16(27(29)30)3-4-18(12)25-10-14(9-24)21-26-19(11-32-21)17-8-13-7-15(23)2-5-20(13)31-22(17)28/h2-8,10-11,25H,1H3