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

Systemtic Name: methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate Openeye Name: methyl 4-[(5,7-dinitro-8-quinolyl)amino]benzoate CAS Name: 4-[(5,7-dinitro-8-quinolinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,7-dinitroquinolin-8-yl)amino]benzoate Traditional Name: 4-[(5,7-dinitro-8-quinolyl)amino]benzoic acid methyl ester Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O6/c1-27-17(22)10-4-6-11(7-5-10)19-16-14(21(25)26)9-13(20(23)24)12-3-2-8-18-15(12)16/h2-9,19H,1H3