3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrazine-2-carboxylate

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrazine-2-carboxylate Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrazine-2-carboxylate CAS Name: 3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-oxomethyl]-2-pyrazinecarboxylate IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrazine-2-carboxylate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)pyrazinate Formula: C15H12N3O5- MolecularWeight: 314.27288

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)[O-])OC1

InChI

InChI=1S/C15H13N3O5/c19-14(12-13(15(20)21)17-5-4-16-12)18-9-2-3-10-11(8-9)23-7-1-6-22-10/h2-5,8H,1,6-7H2,(H,18,19)(H,20,21)/p-1