[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N5O5/c1-13-19(24(27)28)14(2)23(21-13)11-18(26)29-12-17(25)20-15-5-7-16(8-6-15)22-9-3-4-10-22/h5-8H,3-4,9-12H2,1-2H3,(H,20,25)