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

Systemtic Name: 1-[1-[[3-(4-methoxyphenoxy)-5-nitro-phenyl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[3-(4-methoxyphenoxy)-5-nitro-anilino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[3-(4-methoxyphenoxy)-5-nitroanilino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[3-(4-methoxyphenoxy)-5-nitroanilino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-[3-(4-methoxyphenoxy)-5-nitro-anilino]-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C20H18N4O7 MolecularWeight: 426.37952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O7/c1-12(23-11-13(10-21-23)20(26)27)19(25)22-14-7-15(24(28)29)9-18(8-14)31-17-5-3-16(30-2)4-6-17/h3-12H,1-2H3,(H,22,25)(H,26,27)