4,5-dimethyl-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1-(phenylmethyl)pyrrole-3-carbonitrile

Systemtic Name: 4,5-dimethyl-2-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1-(phenylmethyl)pyrrole-3-carbonitrile Openeye Name: 1-benzyl-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-4,5-dimethyl-pyrrole-3-carbonitrile CAS Name: 2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-4,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarbonitrile IUPAC Name: 1-benzyl-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-4,5-dimethylpyrrole-3-carbonitrile Traditional Name: 1-benzyl-2-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-4,5-dimethyl-pyrrole-3-carbonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=C(C2=CC=CC=C2)NO)N=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N/C(=C(/C2=CC=CC=C2)\NO)/N=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H21N5O2/c1-15-16(2)27(14-17-9-5-3-6-10-17)22(19(15)13-23)24-21(26-29)20(25-28)18-11-7-4-8-12-18/h3-12,24-25,28H,14H2,1-2H3/b21-20+