[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC(=O)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O6/c1-14(21(27)23-18-11-17(25(28)29)8-9-19(18)30-2)31-20(26)10-15-12-22-24(13-15)16-6-4-3-5-7-16/h3-9,11-14H,10H2,1-2H3,(H,23,27)