(1-naphthalen-1-yl-2-nitro-ethyl) 3-oxidanylidenebutanoate

Systemtic Name: (1-naphthalen-1-yl-2-nitro-ethyl) 3-oxidanylidenebutanoate Openeye Name: [1-(1-naphthyl)-2-nitro-ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-(1-naphthalenyl)-2-nitroethyl] ester IUPAC Name: (1-naphthalen-1-yl-2-nitroethyl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-(1-naphthyl)-2-nitro-ethyl] ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC(C[N+](=O)[O-])C1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(=O)CC(=O)OC(C[N+](=O)[O-])C1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C16H15NO5/c1-11(18)9-16(19)22-15(10-17(20)21)14-8-4-6-12-5-2-3-7-13(12)14/h2-8,15H,9-10H2,1H3