(3-butyl-2-oxidanylidene-chromen-4-yl) 2-nitrobenzoate

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 2-nitrobenzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C20H17NO6 MolecularWeight: 367.35208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO6/c1-2-3-8-15-18(14-10-5-7-12-17(14)26-20(15)23)27-19(22)13-9-4-6-11-16(13)21(24)25/h4-7,9-12H,2-3,8H2,1H3