2-(3-methyl-5-phenyl-pyrazolidin-4-yl)imino-2-(4-nitrophenyl)ethanenitrile

Systemtic Name: 2-(3-methyl-5-phenyl-pyrazolidin-4-yl)imino-2-(4-nitrophenyl)ethanenitrile Openeye Name: N-(3-methyl-5-phenyl-pyrazolidin-4-yl)-4-nitro-benzimidoyl cyanide CAS Name: 2-[(3-methyl-5-phenyl-4-pyrazolidinyl)imino]-2-(4-nitrophenyl)acetonitrile IUPAC Name: N-(3-methyl-5-phenylpyrazolidin-4-yl)-4-nitrobenzenecarboximidoyl cyanide Traditional Name: 2-(3-methyl-5-phenyl-pyrazolidin-4-yl)imino-2-(4-nitrophenyl)acetonitrile Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NN1)C2=CC=CC=C2)N=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1C(C(NN1)C2=CC=CC=C2)N=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O2/c1-12-17(18(22-21-12)14-5-3-2-4-6-14)20-16(11-19)13-7-9-15(10-8-13)23(24)25/h2-10,12,17-18,21-22H,1H3