diethyl 4-[(2-chloranyl-4-nitro-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(2-chloranyl-4-nitro-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(2-chloro-4-nitro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-chloro-4-nitroanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-chloro-4-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-chloro-4-nitro-anilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O6/c1-3-30-20(26)12-5-7-17-14(9-12)19(15(11-23-17)21(27)31-4-2)24-18-8-6-13(25(28)29)10-16(18)22/h5-11H,3-4H2,1-2H3,(H,23,24)