ethyl (E)-3-[4-(3-acetyloxypropyl)-5-(chloromethyl)-3-methyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-(3-acetyloxypropyl)-5-(chloromethyl)-3-methyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-(3-acetoxypropyl)-5-(chloromethyl)-3-methyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-(3-acetyloxypropyl)-5-(chloromethyl)-3-methyl-1H-pyrrol-2-yl]-2-isocyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(3-acetyloxypropyl)-5-(chloromethyl)-3-methyl-1H-pyrrol-2-yl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-(3-acetoxypropyl)-5-(chloromethyl)-3-methyl-1H-pyrrol-2-yl]-2-isocyano-acrylic acid ethyl ester Formula: C17H21ClN2O4 MolecularWeight: 352.81264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C(=C(N1)CCl)CCCOC(=O)C)C)[N+]#[C-]

Isomeric SMILES

CCOC(=O)/C(=C\C1=C(C(=C(N1)CCl)CCCOC(=O)C)C)/[N+]#[C-]

InChI

InChI=1S/C17H21ClN2O4/c1-5-23-17(22)15(19-4)9-14-11(2)13(16(10-18)20-14)7-6-8-24-12(3)21/h9,20H,5-8,10H2,1-3H3/b15-9+