N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-3-nitro-benzamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N6O3/c1-16-20(15-23-24-21(29)17-8-7-11-19(14-17)28(30)31)22(26-12-5-6-13-26)27(25-16)18-9-3-2-4-10-18/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H,24,29)/b23-15+