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

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[(2-methyl-4-nitro-phenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-(2-methyl-4-nitro-anilino)quinoline-3,6-dicarboxylate CAS Name: 4-(2-methyl-4-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-(2-methyl-4-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(2-methyl-4-nitro-anilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-isopropyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O6/c1-5-31-23(28)18-12-24-20-8-6-15(22(27)32-13(2)3)11-17(20)21(18)25-19-9-7-16(26(29)30)10-14(19)4/h6-13H,5H2,1-4H3,(H,24,25)