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

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

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