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

Systemtic Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate Openeye Name: 4-benzyl-2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitro-phenolate CAS Name: 2-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-6-nitro-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-benzyl-2-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-6-nitro-phenolate Formula: C26H26N3O5- MolecularWeight: 460.50174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3)OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3)OC

InChI

InChI=1S/C26H27N3O5/c1-3-4-10-25(30)28-22-12-11-21(16-24(22)34-2)27-17-20-14-19(13-18-8-6-5-7-9-18)15-23(26(20)31)29(32)33/h5-9,11-12,14-17,31H,3-4,10,13H2,1-2H3,(H,28,30)/p-1