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

Systemtic Name: diethyl 4-[(2-methyl-4-nitro-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: diethyl 4-(2-methyl-4-nitro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-methyl-4-nitroanilino)quinoline-3,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2-methyl-4-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-methyl-4-nitro-anilino)quinoline-3,6-dicarboxylic acid diethyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

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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=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-4-30-21(26)14-6-8-19-16(11-14)20(17(12-23-19)22(27)31-5-2)24-18-9-7-15(25(28)29)10-13(18)3/h6-12H,4-5H2,1-3H3,(H,23,24)