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

Systemtic Name: methyl N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]carbamate Openeye Name: methyl N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]carbamate CAS Name: N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]carbamic acid methyl ester IUPAC Name: methyl N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]carbamate Traditional Name: N-[(E)-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]carbamic acid methyl ester Formula: C13H21N3O2 MolecularWeight: 251.32474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)OC

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=N/NC(=O)OC

InChI

InChI=1S/C13H21N3O2/c1-9(2)8-16-10(3)6-12(11(16)4)7-14-15-13(17)18-5/h6-7,9H,8H2,1-5H3,(H,15,17)/b14-7+