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

Systemtic Name: 2-[4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(4-nitrophenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(6-bromo-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile CAS Name: 2-[4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(4-nitroanilino)-2-propenenitrile IUPAC Name: 2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(4-nitroanilino)prop-2-enenitrile Traditional Name: 2-[4-(6-bromo-2-keto-chromen-3-yl)thiazol-2-yl]-3-(4-nitroanilino)acrylonitrile Formula: C21H11BrN4O4S MolecularWeight: 495.30544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H11BrN4O4S/c22-14-1-6-19-12(7-14)8-17(21(27)30-19)18-11-31-20(25-18)13(9-23)10-24-15-2-4-16(5-3-15)26(28)29/h1-8,10-11,24H