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

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 3-nitrobenzoate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 3-nitrobenzoate Traditional Name: 3-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/c1-2-3-9-16-18(15-10-4-5-11-17(15)26-20(16)23)27-19(22)13-7-6-8-14(12-13)21(24)25/h4-8,10-12H,2-3,9H2,1H3