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

Systemtic Name: O3-ethyl O6-methyl 4-[(4-chloranyl-3-nitro-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-methyl 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-methyl ester IUPAC Name: 3-O-ethyl 6-O-methyl 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-methyl ester Formula: C20H16ClN3O6 MolecularWeight: 429.81054

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O6/c1-3-30-20(26)14-10-22-16-7-4-11(19(25)29-2)8-13(16)18(14)23-12-5-6-15(21)17(9-12)24(27)28/h4-10H,3H2,1-2H3,(H,22,23)