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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-3-6-19-21(26)22(20(25)14-7-4-5-8-17(14)30-19)12-16(24)13-9-10-18(29-2)15(11-13)23(27)28/h4-5,7-11,19H,3,6,12H2,1-2H3