4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-2-ethyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]-2-ethyl-1,4-benzoxazepine-3,5-quinone Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-3-17-21(26)22(20(25)14-7-5-6-8-18(14)30-17)12-16(24)13-9-10-19(29-4-2)15(11-13)23(27)28/h5-11,17H,3-4,12H2,1-2H3