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

Systemtic Name: methyl N-[(E)-[1-(4-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]carbamate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H16IN3O2 MolecularWeight: 397.21091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16IN3O2/c1-10-8-12(9-17-18-15(20)21-3)11(2)19(10)14-6-4-13(16)5-7-14/h4-9H,1-3H3,(H,18,20)/b17-9+