6-methyl-8-nitro-2-(3-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-chromen-4-one

Systemtic Name: 6-methyl-8-nitro-2-(3-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-chromen-4-one Openeye Name: 2-(4-benzyloxy-3-nitro-phenyl)-3-hydroxy-6-methyl-8-nitro-chromen-4-one CAS Name: 3-hydroxy-6-methyl-8-nitro-2-(3-nitro-4-phenylmethoxyphenyl)-1-benzopyran-4-one IUPAC Name: 3-hydroxy-6-methyl-8-nitro-2-(3-nitro-4-phenylmethoxyphenyl)chromen-4-one Traditional Name: 2-(4-benzoxy-3-nitro-phenyl)-3-hydroxy-6-methyl-8-nitro-chromone Formula: C23H16N2O8 MolecularWeight: 448.38174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O8/c1-13-9-16-20(26)21(27)22(33-23(16)18(10-13)25(30)31)15-7-8-19(17(11-15)24(28)29)32-12-14-5-3-2-4-6-14/h2-11,27H,12H2,1H3