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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1C(=O)N(C(=O)C2=CC=CC=C2O1)CC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

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