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

Systemtic Name: 2-ethoxy-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-ethoxy-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-ethoxy-6-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-ethoxy-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-ethoxy-6-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-4-nitro-phenolate Formula: C21H24N3O6- MolecularWeight: 414.43176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6/c1-4-6-7-20(25)23-17-9-8-15(11-18(17)29-3)22-13-14-10-16(24(27)28)12-19(21(14)26)30-5-2/h8-13,26H,4-7H2,1-3H3,(H,23,25)/p-1