(phenylmethyl) (2E)-2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate

Systemtic Name: (phenylmethyl) (2E)-2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate Openeye Name: benzyl (2E)-2-hydroxyimino-4-(1-nitro-2-naphthyl)butanoate CAS Name: (2E)-2-hydroxyimino-4-(1-nitro-2-naphthalenyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate Traditional Name: (2E)-2-hydroximino-4-(1-nitro-2-naphthyl)butyric acid benzyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=NO)CCC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=N/O)/CCC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O5/c24-21(28-14-15-6-2-1-3-7-15)19(22-25)13-12-17-11-10-16-8-4-5-9-18(16)20(17)23(26)27/h1-11,25H,12-14H2/b22-19+