(phenylmethyl) 3-(2-methoxy-5-nitro-phenyl)-2-oxidanylidene-propanoate

Systemtic Name: (phenylmethyl) 3-(2-methoxy-5-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(2-methoxy-5-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-methoxy-5-nitrophenyl)-2-oxopropanoate Traditional Name: 2-keto-3-(2-methoxy-5-nitro-phenyl)propionic acid benzyl ester Formula: C17H15NO6 MolecularWeight: 329.3041

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])CC(=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])CC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H15NO6/c1-23-16-8-7-14(18(21)22)9-13(16)10-15(19)17(20)24-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3