(E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(3-nitrophenyl)acrylonitrile Formula: C21H10BrN3O4S MolecularWeight: 480.2908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H10BrN3O4S/c22-15-4-5-19-13(8-15)9-17(21(26)29-19)18-11-30-20(24-18)14(10-23)6-12-2-1-3-16(7-12)25(27)28/h1-9,11H/b14-6+