2-[(3-ethanoylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[(3-ethanoylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 2-[(3-acetylphenyl)iminomethyl]-4-benzyl-6-nitro-phenolate CAS Name: 2-[(3-acetylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 2-[(3-acetylphenyl)iminomethyl]-4-benzyl-6-nitrophenolate Traditional Name: 2-[(3-acetylphenyl)iminomethyl]-4-benzyl-6-nitro-phenolate Formula: C22H17N2O4- MolecularWeight: 373.38138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H18N2O4/c1-15(25)18-8-5-9-20(13-18)23-14-19-11-17(10-16-6-3-2-4-7-16)12-21(22(19)26)24(27)28/h2-9,11-14,26H,10H2,1H3/p-1