ethyl 2-azanyl-6-[2-(4-ethoxycarbonylphenyl)ethyl]-3-nitro-pyridine-4-carboxylate

Systemtic Name: ethyl 2-azanyl-6-[2-(4-ethoxycarbonylphenyl)ethyl]-3-nitro-pyridine-4-carboxylate Openeye Name: ethyl 2-amino-6-[2-(4-ethoxycarbonylphenyl)ethyl]-3-nitro-pyridine-4-carboxylate CAS Name: 2-amino-6-[2-(4-ethoxycarbonylphenyl)ethyl]-3-nitro-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-6-[2-(4-ethoxycarbonylphenyl)ethyl]-3-nitropyridine-4-carboxylate Traditional Name: 2-amino-6-[2-(4-carbethoxyphenyl)ethyl]-3-nitro-isonicotinic acid ethyl ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C(=C2)C(=O)OCC)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCC2=NC(=C(C(=C2)C(=O)OCC)[N+](=O)[O-])N

InChI

InChI=1S/C19H21N3O6/c1-3-27-18(23)13-8-5-12(6-9-13)7-10-14-11-15(19(24)28-4-2)16(22(25)26)17(20)21-14/h5-6,8-9,11H,3-4,7,10H2,1-2H3,(H2,20,21)