2-[(2,5-dimethylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[(2,5-dimethylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[(2,5-dimethylphenyl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(2,5-dimethylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[(2,5-dimethylphenyl)iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[(2,5-dimethylphenyl)iminomethyl]-6-nitro-phenolate Formula: C22H19N2O3- MolecularWeight: 359.39786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3/c1-15-8-9-16(2)20(10-15)23-14-19-12-18(11-17-6-4-3-5-7-17)13-21(22(19)25)24(26)27/h3-10,12-14,25H,11H2,1-2H3/p-1