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

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

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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)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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