(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxyphenyl)amino]pyridine-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate CAS Name: 2-(4-ethoxyanilino)-3-pyridinecarboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(4-ethoxyanilino)pyridine-3-carboxylate Traditional Name: 2-(p-phenetidino)nicotinic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H21N3O7 MolecularWeight: 451.42874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)OCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C23H21N3O7/c1-2-31-19-7-5-17(6-8-19)25-22-20(4-3-9-24-22)23(27)32-13-16-11-18(26(28)29)10-15-12-30-14-33-21(15)16/h3-11H,2,12-14H2,1H3,(H,24,25)