(3-butyl-2-oxidanylidene-chromen-4-yl) 2-(4-nitrophenoxy)ethanoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-(4-nitrophenoxy)ethanoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-(4-nitrophenoxy)acetate CAS Name: 2-(4-nitrophenoxy)acetic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-(4-nitrophenoxy)acetate Traditional Name: 2-(4-nitrophenoxy)acetic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19NO7/c1-2-3-6-17-20(16-7-4-5-8-18(16)28-21(17)24)29-19(23)13-27-15-11-9-14(10-12-15)22(25)26/h4-5,7-12H,2-3,6,13H2,1H3