O3-ethyl O6-propan-2-yl 4-[(2-chloranyl-4-nitro-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[(2-chloranyl-4-nitro-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-(2-chloro-4-nitro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-chloro-4-nitroanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-propan-2-yl ester IUPAC Name: 3-O-ethyl 6-O-propan-2-yl 4-(2-chloro-4-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-chloro-4-nitro-anilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-isopropyl ester Formula: C22H20ClN3O6 MolecularWeight: 457.8637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC(C)C

InChI

InChI=1S/C22H20ClN3O6/c1-4-31-22(28)16-11-24-18-7-5-13(21(27)32-12(2)3)9-15(18)20(16)25-19-8-6-14(26(29)30)10-17(19)23/h5-12H,4H2,1-3H3,(H,24,25)