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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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