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

Systemtic Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-2-methyl-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]-2-methyl-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-2-methyl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-2-methyl-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]-2-methyl-1,4-benzoxazepine-3,5-quinone Formula: C20H18N2O7 MolecularWeight: 398.36612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C(=O)C(OC3=CC=CC=C3C2=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C(=O)C(OC3=CC=CC=C3C2=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O7/c1-3-28-18-9-8-13(10-15(18)22(26)27)16(23)11-21-19(24)12(2)29-17-7-5-4-6-14(17)20(21)25/h4-10,12H,3,11H2,1-2H3