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

Systemtic Name: 2-[(4-methoxycarbonylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[(4-methoxycarbonylphenyl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(4-methoxycarbonylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[(4-methoxycarbonylphenyl)iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[(4-carbomethoxyphenyl)iminomethyl]-6-nitro-phenolate Formula: C22H17N2O5- MolecularWeight: 389.38078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O5/c1-29-22(26)17-7-9-19(10-8-17)23-14-18-12-16(11-15-5-3-2-4-6-15)13-20(21(18)25)24(27)28/h2-10,12-14,25H,11H2,1H3/p-1