1-[1-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[3-(4-chlorophenoxy)-5-nitro-anilino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[3-(4-chlorophenoxy)-5-nitroanilino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[3-(4-chlorophenoxy)-5-nitroanilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[3-(4-chlorophenoxy)-5-nitro-anilino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C19H15ClN4O6 MolecularWeight: 430.7986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-])N3C=C(C=N3)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1)OC2=CC=C(C=C2)Cl)[N+](=O)[O-])N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C19H15ClN4O6/c1-11(23-10-12(9-21-23)19(26)27)18(25)22-14-6-15(24(28)29)8-17(7-14)30-16-4-2-13(20)3-5-16/h2-11H,1H3,(H,22,25)(H,26,27)