4-(4-chloranylphenoxy)-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-benzoic acid

Systemtic Name: 4-(4-chloranylphenoxy)-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitro-benzoic acid Openeye Name: 4-(4-chlorophenoxy)-3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-benzoic acid CAS Name: 4-(4-chlorophenoxy)-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitrobenzoic acid IUPAC Name: 4-(4-chlorophenoxy)-3-[(E)-dimethylaminomethylideneamino]sulfonyl-5-nitrobenzoic acid Traditional Name: 4-(4-chlorophenoxy)-3-[(E)-dimethylaminomethyleneamino]sulfonyl-5-nitro-benzoic acid Formula: C16H14ClN3O7S MolecularWeight: 427.81626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NS(=O)(=O)C1=CC(=CC(=C1OC2=CC=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CN(C)/C=N/S(=O)(=O)C1=CC(=CC(=C1OC2=CC=C(C=C2)Cl)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14ClN3O7S/c1-19(2)9-18-28(25,26)14-8-10(16(21)22)7-13(20(23)24)15(14)27-12-5-3-11(17)4-6-12/h3-9H,1-2H3,(H,21,22)/b18-9+