12-chloranyl-6,6-dimethyl-8-nitro-4-oxidanylidene-isochromeno[3,4-f]chromene-2-carboxylic acid

Systemtic Name: 12-chloranyl-6,6-dimethyl-8-nitro-4-oxidanylidene-isochromeno[3,4-f]chromene-2-carboxylic acid Openeye Name: 12-chloro-6,6-dimethyl-8-nitro-4-oxo-isochromeno[3,4-f]chromene-2-carboxylic acid CAS Name: 12-chloro-6,6-dimethyl-8-nitro-4-oxo-2-[2]benzopyrano[3,4-f][1]benzopyrancarboxylic acid IUPAC Name: 12-chloro-6,6-dimethyl-8-nitro-4-oxoisochromeno[3,4-f]chromene-2-carboxylic acid Traditional Name: 12-chloro-4-keto-6,6-dimethyl-8-nitro-isochromeno[3,4-f]chromene-2-carboxylic acid Formula: C19H12ClNO7 MolecularWeight: 401.75408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C4C(=C3O1)C(=O)C=C(O4)C(=O)O)Cl)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C4C(=C3O1)C(=O)C=C(O4)C(=O)O)Cl)C

InChI

InChI=1S/C19H12ClNO7/c1-19(2)11-5-8(21(25)26)3-4-9(11)10-6-12(20)17-15(16(10)28-19)13(22)7-14(27-17)18(23)24/h3-7H,1-2H3,(H,23,24)