2-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanoic acid

Systemtic Name: 2-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethanoic acid Openeye Name: 2-[5-methyl-4-(3-nitrophenyl)thiazol-2-yl]acetic acid CAS Name: 2-[5-methyl-4-(3-nitrophenyl)-2-thiazolyl]acetic acid IUPAC Name: 2-[5-methyl-4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetic acid Traditional Name: 2-[5-methyl-4-(3-nitrophenyl)thiazol-2-yl]acetic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(N=C(S1)CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4S/c1-7-12(13-10(19-7)6-11(15)16)8-3-2-4-9(5-8)14(17)18/h2-5H,6H2,1H3,(H,15,16)