2-[[4-(6-methoxy-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[[4-(6-methoxy-2-oxidanylidene-chromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[[4-(6-methoxy-2-oxo-chromen-3-yl)thiazol-2-yl]carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[[[4-(6-methoxy-2-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[[4-(6-methoxy-2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[[4-(2-keto-6-methoxy-chromen-3-yl)thiazol-2-yl]carbamoyl]-4-nitro-benzoic acid Formula: C21H13N3O8S MolecularWeight: 467.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H13N3O8S/c1-31-12-3-5-17-10(6-12)7-15(20(28)32-17)16-9-33-21(22-16)23-18(25)14-8-11(24(29)30)2-4-13(14)19(26)27/h2-9H,1H3,(H,26,27)(H,22,23,25)