(2,2,4-trimethyl-1H-quinolin-6-yl) 3,5-dinitrobenzoate

Systemtic Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 3,5-dinitrobenzoate Openeye Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester IUPAC Name: (2,2,4-trimethyl-1H-quinolin-6-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (2,2,4-trimethyl-1H-quinolin-6-yl) ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)C

Isomeric SMILES

CC1=CC(NC2=C1C=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])(C)C

InChI

InChI=1S/C19H17N3O6/c1-11-10-19(2,3)20-17-5-4-15(9-16(11)17)28-18(23)12-6-13(21(24)25)8-14(7-12)22(26)27/h4-10,20H,1-3H3