[6-chloranyl-2-(2-chlorophenyl)-4-oxidanylidene-chromen-3-yl] 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [6-chloranyl-2-(2-chlorophenyl)-4-oxidanylidene-chromen-3-yl] 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [6-chloro-2-(2-chlorophenyl)-4-oxo-chromen-3-yl] 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [6-chloro-2-(2-chlorophenyl)-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [6-chloro-2-(2-chlorophenyl)-4-oxochromen-3-yl] 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [6-chloro-2-(2-chlorophenyl)-4-keto-chromen-3-yl] ester Formula: C26H18Cl2N2O7 MolecularWeight: 541.33632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)OC3=C(OC4=C(C3=O)C=C(C=C4)Cl)C5=CC=CC=C5Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H18Cl2N2O7/c27-16-6-8-22-18(14-16)23(31)25(24(36-22)17-3-1-2-4-19(17)28)37-26(32)15-5-7-20(21(13-15)30(33)34)29-9-11-35-12-10-29/h1-8,13-14H,9-12H2