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

Systemtic Name: 2-bromanyl-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-bromo-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-bromo-6-[[3-methoxy-4-(1-oxopentylamino)phenyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-bromo-6-[[3-methoxy-4-(pentanoylamino)phenyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-bromo-6-[[3-methoxy-4-(valerylamino)phenyl]iminomethyl]-4-nitro-phenolate Formula: C19H19BrN3O5- MolecularWeight: 449.27526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O5/c1-3-4-5-18(24)22-16-7-6-13(9-17(16)28-2)21-11-12-8-14(23(26)27)10-15(20)19(12)25/h6-11,25H,3-5H2,1-2H3,(H,22,24)/p-1