2-nitro-4-(phenylmethyl)-6-[[4-(propanoylamino)phenyl]iminomethyl]phenolate

Systemtic Name: 2-nitro-4-(phenylmethyl)-6-[[4-(propanoylamino)phenyl]iminomethyl]phenolate Openeye Name: 4-benzyl-2-nitro-6-[[4-(propanoylamino)phenyl]iminomethyl]phenolate CAS Name: 2-nitro-6-[[4-(1-oxopropylamino)phenyl]iminomethyl]-4-(phenylmethyl)phenolate IUPAC Name: 4-benzyl-2-nitro-6-[[4-(propanoylamino)phenyl]iminomethyl]phenolate Traditional Name: 4-benzyl-2-nitro-6-[(4-propionamidophenyl)iminomethyl]phenolate Formula: C23H20N3O4- MolecularWeight: 402.4226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)N=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O4/c1-2-22(27)25-20-10-8-19(9-11-20)24-15-18-13-17(12-16-6-4-3-5-7-16)14-21(23(18)28)26(29)30/h3-11,13-15,28H,2,12H2,1H3,(H,25,27)/p-1