5-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-nitro-phenolate

Systemtic Name: 5-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-nitro-phenolate Openeye Name: 5-[[4-(2,3-dihydrobenzofuran-5-yl)thiazol-2-yl]carbamoyl]-2-nitro-phenolate CAS Name: 5-[[[4-(2,3-dihydrobenzofuran-5-yl)-2-thiazolyl]amino]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-nitrophenolate Traditional Name: 5-[(4-coumaran-5-ylthiazol-2-yl)carbamoyl]-2-nitro-phenolate Formula: C18H12N3O5S- MolecularWeight: 382.36998

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H13N3O5S/c22-15-8-12(1-3-14(15)21(24)25)17(23)20-18-19-13(9-27-18)10-2-4-16-11(7-10)5-6-26-16/h1-4,7-9,22H,5-6H2,(H,19,20,23)/p-1