tert-butyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]carbamate

Systemtic Name: tert-butyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]carbamate Openeye Name: tert-butyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]carbamate CAS Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]carbamate Traditional Name: N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]carbamic acid tert-butyl ester Formula: C18H22IN3O2 MolecularWeight: 439.29065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)C=NNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)I)C)/C=N/NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H22IN3O2/c1-12-10-14(11-20-21-17(23)24-18(3,4)5)13(2)22(12)16-8-6-15(19)7-9-16/h6-11H,1-5H3,(H,21,23)/b20-11+