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

Systemtic Name: (E)-2-[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(6-nitro-2-oxo-chromen-3-yl)thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(6-nitro-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(3-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(2-keto-6-nitro-chromen-3-yl)thiazol-2-yl]-3-(3-nitrophenyl)acrylonitrile Formula: C21H10N4O6S MolecularWeight: 446.3923

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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)[N+](=O)[O-])OC3=O

Isomeric SMILES

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

InChI

InChI=1S/C21H10N4O6S/c22-10-14(6-12-2-1-3-15(7-12)24(27)28)20-23-18(11-32-20)17-9-13-8-16(25(29)30)4-5-19(13)31-21(17)26/h1-9,11H/b14-6+