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

Systemtic Name: 3-[(3-nitrophenyl)amino]-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-nitroanilino)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-nitroanilino)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(3-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-(3-nitroanilino)acrylonitrile Formula: C21H12N4O4S MolecularWeight: 416.40938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CNC4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CNC4=CC(=CC=C4)[N+](=O)[O-])C#N

InChI

InChI=1S/C21H12N4O4S/c22-10-14(11-23-15-5-3-6-16(9-15)25(27)28)20-24-18(12-30-20)17-8-13-4-1-2-7-19(13)29-21(17)26/h1-9,11-12,23H