2-(3-ethoxycarbonyl-5-nitro-pyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)ethanoic acid

Systemtic Name: 2-(3-ethoxycarbonyl-5-nitro-pyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)ethanoic acid Openeye Name: 2-(3-ethoxycarbonyl-5-nitro-2-pyridyl)-2-(1-methylpyrrolidin-3-yl)acetic acid CAS Name: 2-(3-ethoxycarbonyl-5-nitro-2-pyridinyl)-2-(1-methyl-3-pyrrolidinyl)acetic acid IUPAC Name: 2-(3-ethoxycarbonyl-5-nitropyridin-2-yl)-2-(1-methylpyrrolidin-3-yl)acetic acid Traditional Name: 2-(3-carbethoxy-5-nitro-2-pyridyl)-2-(1-methylpyrrolidin-3-yl)acetic acid Formula: C15H19N3O6 MolecularWeight: 337.32786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN=C1C(C2CCN(C2)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CN=C1C(C2CCN(C2)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6/c1-3-24-15(21)11-6-10(18(22)23)7-16-13(11)12(14(19)20)9-4-5-17(2)8-9/h6-7,9,12H,3-5,8H2,1-2H3,(H,19,20)