3-morpholin-4-yl-9-nitro-1-benzoxepine-2,5-dione

Systemtic Name: 3-morpholin-4-yl-9-nitro-1-benzoxepine-2,5-dione Openeye Name: 3-morpholino-9-nitro-1-benzoxepine-2,5-dione CAS Name: 3-(4-morpholinyl)-9-nitro-1-benzoxepin-2,5-dione IUPAC Name: 3-morpholin-4-yl-9-nitro-1-benzoxepine-2,5-dione Traditional Name: 3-morpholino-9-nitro-1-benzoxepin-2,5-quinone Formula: C14H12N2O6 MolecularWeight: 304.25488

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1COCCN1C2=CC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C14H12N2O6/c17-12-8-11(15-4-6-21-7-5-15)14(18)22-13-9(12)2-1-3-10(13)16(19)20/h1-3,8H,4-7H2