4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione

Systemtic Name: 4-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione Openeye Name: 2-isopropyl-4-[2-(3-nitrophenyl)-2-oxo-ethyl]-1,4-benzoxazepine-3,5-dione CAS Name: 4-[2-(3-nitrophenyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione IUPAC Name: 4-[2-(3-nitrophenyl)-2-oxoethyl]-2-propan-2-yl-1,4-benzoxazepine-3,5-dione Traditional Name: 2-isopropyl-4-[2-keto-2-(3-nitrophenyl)ethyl]-1,4-benzoxazepine-3,5-quinone Formula: C20H18N2O6 MolecularWeight: 382.36672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O6/c1-12(2)18-20(25)21(19(24)15-8-3-4-9-17(15)28-18)11-16(23)13-6-5-7-14(10-13)22(26)27/h3-10,12,18H,11H2,1-2H3