2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide

Systemtic Name: 2-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]ethanamide Openeye Name: 2-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]-N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]acetamide CAS Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]acetamide IUPAC Name: 2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]acetamide Traditional Name: 2-[(2-chloro-5-nitro-benzyl)-methyl-amino]-N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]acetamide Formula: C22H22ClN5O4 MolecularWeight: 455.89418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN(C)CC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CO3)C

InChI

InChI=1S/C22H22ClN5O4/c1-14-15(2)27(12-18-5-4-8-32-18)22(19(14)10-24)25-21(29)13-26(3)11-16-9-17(28(30)31)6-7-20(16)23/h4-9H,11-13H2,1-3H3,(H,25,29)