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

Systemtic Name: 1-[1-[[3-(3-methylphenoxy)-5-nitro-phenyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[1-methyl-2-[3-(3-methylphenoxy)-5-nitro-anilino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[3-(3-methylphenoxy)-5-nitroanilino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[3-(3-methylphenoxy)-5-nitroanilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-1-methyl-2-[3-(3-methylphenoxy)-5-nitro-anilino]ethyl]pyrazole-4-carboxylic acid Formula: C20H18N4O6 MolecularWeight: 410.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C=C(C=N3)C(=O)O

InChI

InChI=1S/C20H18N4O6/c1-12-4-3-5-17(6-12)30-18-8-15(7-16(9-18)24(28)29)22-19(25)13(2)23-11-14(10-21-23)20(26)27/h3-11,13H,1-2H3,(H,22,25)(H,26,27)