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

Systemtic Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]-1,4-benzoxazepine-3,5-dione Openeye Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(4-ethoxy-3-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione Traditional Name: 4-[2-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C(=O)COC3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C(=O)COC3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O7/c1-2-27-17-8-7-12(9-14(17)21(25)26)15(22)10-20-18(23)11-28-16-6-4-3-5-13(16)19(20)24/h3-9H,2,10-11H2,1H3