2-(3-nitrophenyl)-6-[[2-(3-nitrophenyl)-4-oxidanylidene-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one

Systemtic Name: 2-(3-nitrophenyl)-6-[[2-(3-nitrophenyl)-4-oxidanylidene-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one Openeye Name: 2-(3-nitrophenyl)-6-[[2-(3-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one CAS Name: 2-(3-nitrophenyl)-6-[[2-(3-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one IUPAC Name: 2-(3-nitrophenyl)-6-[[2-(3-nitrophenyl)-4-oxo-3,1-benzoxazin-6-yl]methyl]-3,1-benzoxazin-4-one Traditional Name: 6-[[4-keto-2-(3-nitrophenyl)-3,1-benzoxazin-6-yl]methyl]-2-(3-nitrophenyl)-3,1-benzoxazin-4-one Formula: C29H16N4O8 MolecularWeight: 548.45934

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=C(C=C3)CC4=CC5=C(C=C4)N=C(OC5=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=C(C=C3)CC4=CC5=C(C=C4)N=C(OC5=O)C6=CC(=CC=C6)[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C29H16N4O8/c34-28-22-12-16(7-9-24(22)30-26(40-28)18-3-1-5-20(14-18)32(36)37)11-17-8-10-25-23(13-17)29(35)41-27(31-25)19-4-2-6-21(15-19)33(38)39/h1-10,12-15H,11H2