2-[4-[2-aminocarbonyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-aminocarbonyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-carbamoyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[2-carbamoyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[2-carbamoyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]-2-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[1-carbamoyl-5-(3-nitrophenyl)-2-pyrazolin-3-yl]-2-methoxy-phenoxy]acetic acid Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C(C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N)OCC(=O)O

InChI

InChI=1S/C19H18N4O7/c1-29-17-8-11(5-6-16(17)30-10-18(24)25)14-9-15(22(21-14)19(20)26)12-3-2-4-13(7-12)23(27)28/h2-8,15H,9-10H2,1H3,(H2,20,26)(H,24,25)