methyl 4-[6-nitro-5-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate

Systemtic Name: methyl 4-[6-nitro-5-oxidanyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]benzoate Openeye Name: methyl 4-(5-hydroxy-6-nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)benzoate CAS Name: 4-(5-hydroxy-6-nitro-1,3-dioxo-2-benzo[de]isoquinolinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-hydroxy-6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate Traditional Name: 4-(5-hydroxy-1,3-diketo-6-nitro-benzo[de]isoquinolin-2-yl)benzoic acid methyl ester Formula: C20H12N2O7 MolecularWeight: 392.31848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC4=C3C(=CC(=C4[N+](=O)[O-])O)C2=O

InChI

InChI=1S/C20H12N2O7/c1-29-20(26)10-5-7-11(8-6-10)21-18(24)13-4-2-3-12-16(13)14(19(21)25)9-15(23)17(12)22(27)28/h2-9,23H,1H3