(2-chloranylquinolin-3-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (2-chloro-3-quinolyl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (2-chloro-3-quinolyl)methyl ester Formula: C25H13ClN2O6 MolecularWeight: 472.83352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C25H13ClN2O6/c26-24-14(11-13-5-1-4-8-19(13)27-24)12-34-25(31)18-10-9-17-20(21(18)28(32)33)23(30)16-7-3-2-6-15(16)22(17)29/h1-11H,12H2