(Z)-3-[1-(4-methyl-2-nitro-phenyl)pyrrol-2-yl]-2-methylsulfonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[1-(4-methyl-2-nitro-phenyl)pyrrol-2-yl]-2-methylsulfonyl-prop-2-enenitrile Openeye Name: (Z)-3-[1-(4-methyl-2-nitro-phenyl)pyrrol-2-yl]-2-methylsulfonyl-prop-2-enenitrile CAS Name: (Z)-3-[1-(4-methyl-2-nitrophenyl)-2-pyrrolyl]-2-methylsulfonyl-2-propenenitrile IUPAC Name: (Z)-3-[1-(4-methyl-2-nitrophenyl)pyrrol-2-yl]-2-methylsulfonylprop-2-enenitrile Traditional Name: (Z)-2-mesyl-3-[1-(4-methyl-2-nitro-phenyl)pyrrol-2-yl]acrylonitrile Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=C2C=C(C#N)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=C2/C=C(/C#N)\S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O4S/c1-11-5-6-14(15(8-11)18(19)20)17-7-3-4-12(17)9-13(10-16)23(2,21)22/h3-9H,1-2H3/b13-9-