ethyl 4-[[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate

Systemtic Name: ethyl 4-[[4-(6-nitro-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate Openeye Name: ethyl 4-[[4-(6-nitro-2-oxo-chromen-3-yl)thiazol-2-yl]amino]benzoate CAS Name: 4-[[4-(6-nitro-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]amino]benzoate Traditional Name: 4-[[4-(2-keto-6-nitro-chromen-3-yl)thiazol-2-yl]amino]benzoic acid ethyl ester Formula: C21H15N3O6S MolecularWeight: 437.4253

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C21H15N3O6S/c1-2-29-19(25)12-3-5-14(6-4-12)22-21-23-17(11-31-21)16-10-13-9-15(24(27)28)7-8-18(13)30-20(16)26/h3-11H,2H2,1H3,(H,22,23)