(3-nitro-2-oxidanylidene-chromen-8-yl) octanoate

Systemtic Name: (3-nitro-2-oxidanylidene-chromen-8-yl) octanoate Openeye Name: (3-nitro-2-oxo-chromen-8-yl) octanoate CAS Name: octanoic acid (3-nitro-2-oxo-1-benzopyran-8-yl) ester IUPAC Name: (3-nitro-2-oxochromen-8-yl) octanoate Traditional Name: caprylic acid (2-keto-3-nitro-chromen-8-yl) ester Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=CC2=C1OC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO6/c1-2-3-4-5-6-10-15(19)23-14-9-7-8-12-11-13(18(21)22)17(20)24-16(12)14/h7-9,11H,2-6,10H2,1H3