3-[ethyl-[3-methyl-4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[ethyl-[3-methyl-4-[(2-methylsulfonyl-4-nitro-phenyl)diazenyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-ethyl-3-methyl-4-(2-methylsulfonyl-4-nitro-phenyl)azo-anilino]propanenitrile CAS Name: 3-[N-ethyl-3-methyl-4-(2-methylsulfonyl-4-nitrophenyl)azoanilino]propanenitrile IUPAC Name: 3-[N-ethyl-3-methyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]anilino]propanenitrile Traditional Name: 3-[N-ethyl-4-(2-mesyl-4-nitro-phenyl)azo-3-methyl-anilino]propionitrile Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C)C

Isomeric SMILES

CCN(CCC#N)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C)C

InChI

InChI=1S/C19H21N5O4S/c1-4-23(11-5-10-20)15-6-8-17(14(2)12-15)21-22-18-9-7-16(24(25)26)13-19(18)29(3,27)28/h6-9,12-13H,4-5,11H2,1-3H3