4-(4-oxidanylidene-3,5-dihydro-2H-1-benzoxepin-5-yl)piperazine-1-carboxylate

Systemtic Name: 4-(4-oxidanylidene-3,5-dihydro-2H-1-benzoxepin-5-yl)piperazine-1-carboxylate Openeye Name: 4-(4-oxo-3,5-dihydro-2H-1-benzoxepin-5-yl)piperazine-1-carboxylate CAS Name: 4-(4-oxo-3,5-dihydro-2H-1-benzoxepin-5-yl)-1-piperazinecarboxylate IUPAC Name: 4-(4-oxo-3,5-dihydro-2H-1-benzoxepin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(4-keto-3,5-dihydro-2H-1-benzoxepin-5-yl)piperazine-1-carboxylate Formula: C15H17N2O4- MolecularWeight: 289.30648

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C(C1=O)N3CCN(CC3)C(=O)[O-]

Isomeric SMILES

C1COC2=CC=CC=C2C(C1=O)N3CCN(CC3)C(=O)[O-]

InChI

InChI=1S/C15H18N2O4/c18-12-5-10-21-13-4-2-1-3-11(13)14(12)16-6-8-17(9-7-16)15(19)20/h1-4,14H,5-10H2,(H,19,20)/p-1