2-[3-nitro-4-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one

Systemtic Name: 2-[3-nitro-4-(4-oxidanylidene-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one Openeye Name: 2-[3-nitro-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one CAS Name: 2-[3-nitro-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one IUPAC Name: 2-[3-nitro-4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one Traditional Name: 2-[4-(4-keto-3,1-benzoxazin-2-yl)-3-nitro-phenyl]-3,1-benzoxazin-4-one Formula: C22H11N3O6 MolecularWeight: 413.33924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC(=C(C=C3)C4=NC5=CC=CC=C5C(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C22H11N3O6/c26-21-13-5-1-3-7-16(13)23-19(30-21)12-9-10-15(18(11-12)25(28)29)20-24-17-8-4-2-6-14(17)22(27)31-20/h1-11H