diethyl 4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3,6-dicarboxylate

Systemtic Name: diethyl 4-[(5-nitro-2-oxidanyl-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(2-hydroxy-5-nitro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-hydroxy-5-nitroanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-hydroxy-5-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-hydroxy-5-nitro-anilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-3-30-20(26)12-5-7-16-14(9-12)19(15(11-22-16)21(27)31-4-2)23-17-10-13(24(28)29)6-8-18(17)25/h5-11,25H,3-4H2,1-2H3,(H,22,23)