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

Systemtic Name: O3-ethyl O6-propan-2-yl 4-[(4-nitrophenyl)amino]quinoline-3,6-dicarboxylate Openeye Name: O3-ethyl O6-isopropyl 4-(4-nitroanilino)quinoline-3,6-dicarboxylate CAS Name: 4-(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-(4-nitroanilino)quinoline-3,6-dicarboxylate Traditional Name: 4-(4-nitroanilino)quinoline-3,6-dicarboxylic acid O3-ethyl ester O6-isopropyl ester Formula: C22H21N3O6 MolecularWeight: 423.41864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6/c1-4-30-22(27)18-12-23-19-10-5-14(21(26)31-13(2)3)11-17(19)20(18)24-15-6-8-16(9-7-15)25(28)29/h5-13H,4H2,1-3H3,(H,23,24)