[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O5/c1-14(20(26)22-16-6-5-9-18(11-16)24(27)28)29-19(25)10-15-12-21-23(13-15)17-7-3-2-4-8-17/h2-9,11-14H,10H2,1H3,(H,22,26)