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

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

Isomeric SMILES

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

InChI

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