2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]ethanoic acid

Systemtic Name: 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]ethanoic acid Openeye Name: 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]acetic acid CAS Name: 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)-1-pyrrolyl]acetic acid IUPAC Name: 2-[3-ethoxycarbonyl-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]acetic acid Traditional Name: 2-[3-carbethoxy-2-methyl-5-(2-nitrophenyl)pyrrol-1-yl]acetic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2[N+](=O)[O-])CC(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2[N+](=O)[O-])CC(=O)O)C

InChI

InChI=1S/C16H16N2O6/c1-3-24-16(21)12-8-14(17(10(12)2)9-15(19)20)11-6-4-5-7-13(11)18(22)23/h4-8H,3,9H2,1-2H3,(H,19,20)