(4S)-5-methyl-2-(4-nitrophenyl)-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyliminomethyl]-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[3-(2-oxo-1-pyrrolidinyl)propyliminomethyl]-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[3-(2-oxopyrrolidin-1-yl)propyliminomethyl]-4H-pyrazol-3-one Traditional Name: (4S)-4-[3-(2-ketopyrrolidino)propyliminomethyl]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCCCN2CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NCCCN2CCCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O4/c1-13-16(12-19-9-3-11-21-10-2-4-17(21)24)18(25)22(20-13)14-5-7-15(8-6-14)23(26)27/h5-8,12,16H,2-4,9-11H2,1H3/t16-/m0/s1