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

Systemtic Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-4-methyl-6-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-])[N+](=O)[O-])C)OC

Isomeric SMILES

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

InChI

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