4-ethoxy-6-[ethyl-(phenylmethyl)amino]-2-methyl-5-nitro-pyridine-3-carboxylic acid

Systemtic Name: 4-ethoxy-6-[ethyl-(phenylmethyl)amino]-2-methyl-5-nitro-pyridine-3-carboxylic acid Openeye Name: 6-[benzyl(ethyl)amino]-4-ethoxy-2-methyl-5-nitro-pyridine-3-carboxylic acid CAS Name: 4-ethoxy-6-[ethyl-(phenylmethyl)amino]-2-methyl-5-nitro-3-pyridinecarboxylic acid IUPAC Name: 6-[benzyl(ethyl)amino]-4-ethoxy-2-methyl-5-nitropyridine-3-carboxylic acid Traditional Name: 6-[benzyl(ethyl)amino]-4-ethoxy-2-methyl-5-nitro-nicotinic acid Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=C(C(=C(C(=N2)C)C(=O)O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=C(C(=C(C(=N2)C)C(=O)O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-4-20(11-13-9-7-6-8-10-13)17-15(21(24)25)16(26-5-2)14(18(22)23)12(3)19-17/h6-10H,4-5,11H2,1-3H3,(H,22,23)