2-[(3-bromanyl-4-methoxy-phenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate

Systemtic Name: 2-[(3-bromanyl-4-methoxy-phenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[(3-bromo-4-methoxy-phenyl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[(3-bromo-4-methoxyphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[(3-bromo-4-methoxyphenyl)iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[(3-bromo-4-methoxy-phenyl)iminomethyl]-6-nitro-phenolate Formula: C21H16BrN2O4- MolecularWeight: 440.26674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3)Br

InChI

InChI=1S/C21H17BrN2O4/c1-28-20-8-7-17(12-18(20)22)23-13-16-10-15(9-14-5-3-2-4-6-14)11-19(21(16)25)24(26)27/h2-8,10-13,25H,9H2,1H3/p-1