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

Systemtic Name: 2-methoxy-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-methoxy-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-methoxy-6-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-methoxy-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-methoxy-6-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-4-nitro-phenolate Formula: C20H22N3O6- MolecularWeight: 400.40518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-4-5-6-19(24)22-16-8-7-14(10-17(16)28-2)21-12-13-9-15(23(26)27)11-18(29-3)20(13)25/h7-12,25H,4-6H2,1-3H3,(H,22,24)/p-1