butyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate

Systemtic Name: butyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate Openeye Name: butyl 4-[(5,7-dinitro-8-quinolyl)amino]benzoate CAS Name: 4-[(5,7-dinitro-8-quinolinyl)amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate Traditional Name: 4-[(5,7-dinitro-8-quinolyl)amino]benzoic acid butyl ester Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6/c1-2-3-11-30-20(25)13-6-8-14(9-7-13)22-19-17(24(28)29)12-16(23(26)27)15-5-4-10-21-18(15)19/h4-10,12,22H,2-3,11H2,1H3