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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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