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

Systemtic Name: 2-[(4-butoxycarbonylphenyl)iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[(4-butoxycarbonylphenyl)iminomethyl]-6-nitro-phenolate CAS Name: 2-[[4-[butoxy(oxo)methyl]phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[(4-butoxycarbonylphenyl)iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[(4-butoxycarbonylphenyl)iminomethyl]-6-nitro-phenolate Formula: C25H23N2O5- MolecularWeight: 431.46052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O5/c1-2-3-13-32-25(29)20-9-11-22(12-10-20)26-17-21-15-19(14-18-7-5-4-6-8-18)16-23(24(21)28)27(30)31/h4-12,15-17,28H,2-3,13-14H2,1H3/p-1