[1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxidanylidene-quinolin-3-yl] methanoate

Systemtic Name: [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxidanylidene-quinolin-3-yl] methanoate Openeye Name: [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-3-quinolyl] formate CAS Name: formic acid [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-3-quinolinyl] ester IUPAC Name: [1-hexyl-4-(3-methylbut-2-enoxy)-7-nitro-2-oxoquinolin-3-yl] formate Traditional Name: formic acid [1-hexyl-2-keto-4-(3-methylbut-2-enoxy)-7-nitro-3-quinolyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC=O)OCC=C(C)C

Isomeric SMILES

CCCCCCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=C(C1=O)OC=O)OCC=C(C)C

InChI

InChI=1S/C21H26N2O6/c1-4-5-6-7-11-22-18-13-16(23(26)27)8-9-17(18)19(28-12-10-15(2)3)20(21(22)25)29-14-24/h8-10,13-14H,4-7,11-12H2,1-3H3