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

Systemtic Name: (phenylmethyl) 3-(5-methyl-2-nitro-phenyl)-2-oxidanylidene-propanoate Openeye Name: benzyl 3-(5-methyl-2-nitro-phenyl)-2-oxo-propanoate CAS Name: 3-(5-methyl-2-nitrophenyl)-2-oxopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(5-methyl-2-nitrophenyl)-2-oxopropanoate Traditional Name: 2-keto-3-(5-methyl-2-nitro-phenyl)propionic acid benzyl ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])CC(=O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H15NO5/c1-12-7-8-15(18(21)22)14(9-12)10-16(19)17(20)23-11-13-5-3-2-4-6-13/h2-9H,10-11H2,1H3