(E)-3-(3-nitrophenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(3-nitrophenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-nitrophenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(3-nitrophenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-nitrophenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-3-(3-nitrophenyl)acrylonitrile Formula: C21H11N3O4S MolecularWeight: 401.39474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H11N3O4S/c22-11-15(8-13-4-3-6-16(9-13)24(26)27)20-23-18(12-29-20)17-10-14-5-1-2-7-19(14)28-21(17)25/h1-10,12H/b15-8+