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

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[(4-chloranyl-3-nitro-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-(4-chloro-3-nitro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(4-chloro-3-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-(4-chloro-3-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(4-chloro-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC(C)C

Isomeric SMILES

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

InChI

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