ethyl (E)-3-[5-(chloromethyl)-4-ethanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-(chloromethyl)-4-ethanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-acetyl-5-(chloromethyl)-3-(2-methoxy-2-oxo-ethyl)-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-acetyl-5-(chloromethyl)-3-(2-methoxy-2-oxoethyl)-1H-pyrrol-2-yl]-2-isocyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-acetyl-5-(chloromethyl)-3-(2-methoxy-2-oxoethyl)-1H-pyrrol-2-yl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-acetyl-5-(chloromethyl)-3-(2-keto-2-methoxy-ethyl)-1H-pyrrol-2-yl]-2-isocyano-acrylic acid ethyl ester Formula: C16H17ClN2O5 MolecularWeight: 352.76958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN2O5/c1-5-24-16(22)12(18-3)7-11-10(6-14(21)23-4)15(9(2)20)13(8-17)19-11/h7,19H,5-6,8H2,1-2,4H3/b12-7+