6-ethanoyl-1,3-dimethyl-5-(3-nitrophenyl)-5H-pyrimido[4,5-b][1,5]benzoxazepine-2,4-dione

Systemtic Name: 6-ethanoyl-1,3-dimethyl-5-(3-nitrophenyl)-5H-pyrimido[4,5-b][1,5]benzoxazepine-2,4-dione Openeye Name: 6-acetyl-1,3-dimethyl-5-(3-nitrophenyl)-5H-pyrimido[4,5-b][1,5]benzoxazepine-2,4-dione CAS Name: 6-acetyl-1,3-dimethyl-5-(3-nitrophenyl)-5H-pyrimido[4,5-b][1,5]benzoxazepine-2,4-dione IUPAC Name: 6-acetyl-1,3-dimethyl-5-(3-nitrophenyl)-5H-pyrimido[4,5-b][1,5]benzoxazepine-2,4-dione Traditional Name: 6-acetyl-1,3-dimethyl-5-(3-nitrophenyl)-5H-pyrimido[4,5-b][1,5]benzoxazepine-2,4-quinone Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=C(N(C(=O)N(C2=O)C)C)OC3=CC=CC=C31)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1C(C2=C(N(C(=O)N(C2=O)C)C)OC3=CC=CC=C31)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O6/c1-12(26)24-15-9-4-5-10-16(15)31-20-17(19(27)22(2)21(28)23(20)3)18(24)13-7-6-8-14(11-13)25(29)30/h4-11,18H,1-3H3