N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-(2,4-dipropoxyphenyl)methyleneamino]-3-nitro-benzenesulfonamide CAS Name: N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-(2,4-dipropoxybenzylidene)amino]-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=NNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=N/NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])OCCC

InChI

InChI=1S/C19H23N3O6S/c1-3-10-27-17-9-8-15(19(13-17)28-11-4-2)14-20-21-29(25,26)18-7-5-6-16(12-18)22(23)24/h5-9,12-14,21H,3-4,10-11H2,1-2H3/b20-14+