2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-3-pyridinecarboxylate IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)pyridine-3-carboxylate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)nicotinate Formula: C15H13N2O4- MolecularWeight: 285.27472

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC3=C(C=CC=N3)C(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC3=C(C=CC=N3)C(=O)[O-])OC1

InChI

InChI=1S/C15H14N2O4/c18-15(19)11-3-1-6-16-14(11)17-10-4-5-12-13(9-10)21-8-2-7-20-12/h1,3-6,9H,2,7-8H2,(H,16,17)(H,18,19)/p-1