3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[3-(3,5-dimethyl-4-isoxazolyl)-1-oxopropyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[3-(3,5-dimethylisoxazol-4-yl)propanoylamino]-5-(3-nitrophenyl)-2-thenoic acid Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H17N3O6S/c1-10-14(11(2)28-21-10)6-7-17(23)20-15-9-16(29-18(15)19(24)25)12-4-3-5-13(8-12)22(26)27/h3-5,8-9H,6-7H2,1-2H3,(H,20,23)(H,24,25)