2-[2-(azepan-1-yl)-5-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one

Systemtic Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one Openeye Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one CAS Name: 2-[2-(1-azepanyl)-5-nitrophenyl]-2,3-dihydro-1,3-benzoxazin-4-one IUPAC Name: 2-[2-(azepan-1-yl)-5-nitrophenyl]-2,3-dihydro-1,3-benzoxazin-4-one Traditional Name: 2-[2-(azepan-1-yl)-5-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3NC(=O)C4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C3NC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C20H21N3O4/c24-19-15-7-3-4-8-18(15)27-20(21-19)16-13-14(23(25)26)9-10-17(16)22-11-5-1-2-6-12-22/h3-4,7-10,13,20H,1-2,5-6,11-12H2,(H,21,24)