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

Systemtic Name: [4-(3-methylbut-2-enoxy)-7-nitro-2-oxidanylidene-1H-quinolin-3-yl] ethanoate Openeye Name: [4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-1H-quinolin-3-yl] acetate CAS Name: acetic acid [4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-1H-quinolin-3-yl] ester IUPAC Name: [4-(3-methylbut-2-enoxy)-7-nitro-2-oxo-1H-quinolin-3-yl] acetate Traditional Name: acetic acid [2-keto-4-(3-methylbut-2-enoxy)-7-nitro-1H-quinolin-3-yl] ester Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OC(=O)C)C

Isomeric SMILES

CC(=CCOC1=C(C(=O)NC2=C1C=CC(=C2)[N+](=O)[O-])OC(=O)C)C

InChI

InChI=1S/C16H16N2O6/c1-9(2)6-7-23-14-12-5-4-11(18(21)22)8-13(12)17-16(20)15(14)24-10(3)19/h4-6,8H,7H2,1-3H3,(H,17,20)