2-[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-nitro-4-oxidanyl-phenyl)methyl]benzoic acid

Systemtic Name: 2-[(Z)-(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-nitro-4-oxidanyl-phenyl)methyl]benzoic acid Openeye Name: 2-[(Z)-(4-hydroxy-3-nitro-phenyl)-(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid CAS Name: 2-[(Z)-(4-hydroxy-3-nitrophenyl)-(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzoic acid IUPAC Name: 2-[(Z)-(4-hydroxy-3-nitrophenyl)-(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid Traditional Name: 2-[(Z)-(4-hydroxy-3-nitro-phenyl)-(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid Formula: C20H12N2O8 MolecularWeight: 408.31788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)[N+](=O)[O-])C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C(=C\2/C=CC(=O)C(=C2)[N+](=O)[O-])/C3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H12N2O8/c23-17-7-5-11(9-15(17)21(27)28)19(13-3-1-2-4-14(13)20(25)26)12-6-8-18(24)16(10-12)22(29)30/h1-10,23H,(H,25,26)/b19-12-