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

Systemtic Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Openeye Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate CAS Name: 2-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-6-methyl-4-nitrophenolate IUPAC Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-6-methyl-4-nitrophenolate Traditional Name: 2-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-6-methyl-4-nitro-phenolate Formula: C20H22N3O5- MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5/c1-4-5-6-19(24)22-17-8-7-15(11-18(17)28-3)21-12-14-10-16(23(26)27)9-13(2)20(14)25/h7-12,25H,4-6H2,1-3H3,(H,22,24)/p-1