3-[(2-methoxy-4-nitro-phenyl)amino]-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(2-methoxy-4-nitro-phenyl)amino]-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(2-methoxy-4-nitro-anilino)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(2-methoxy-4-nitroanilino)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(2-methoxy-4-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-3-(2-methoxy-4-nitro-anilino)acrylonitrile Formula: C22H14N4O5S MolecularWeight: 446.43536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H14N4O5S/c1-30-20-9-15(26(28)29)6-7-17(20)24-11-14(10-23)21-25-18(12-32-21)16-8-13-4-2-3-5-19(13)31-22(16)27/h2-9,11-12,24H,1H3