ethyl 2-[[2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate

Systemtic Name: ethyl 2-[[2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Openeye Name: ethyl 2-[[2-cyano-2-[4-(3-nitrophenyl)thiazol-2-yl]vinyl]amino]benzoate CAS Name: 2-[[2-cyano-2-[4-(3-nitrophenyl)-2-thiazolyl]ethenyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate Traditional Name: 2-[[2-cyano-2-[4-(3-nitrophenyl)thiazol-2-yl]vinyl]amino]benzoic acid ethyl ester Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-2-29-21(26)17-8-3-4-9-18(17)23-12-15(11-22)20-24-19(13-30-20)14-6-5-7-16(10-14)25(27)28/h3-10,12-13,23H,2H2,1H3