(2-methylfuran-3-yl)methyl 4-nitrobenzoate

Systemtic Name: (2-methylfuran-3-yl)methyl 4-nitrobenzoate Openeye Name: (2-methyl-3-furyl)methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (2-methyl-3-furanyl)methyl ester IUPAC Name: (2-methylfuran-3-yl)methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-methyl-3-furyl)methyl ester Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CO1)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5/c1-9-11(6-7-18-9)8-19-13(15)10-2-4-12(5-3-10)14(16)17/h2-7H,8H2,1H3