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

Systemtic Name: ethyl (E)-3-[4-ethanoyl-3-(2-methoxy-2-oxidanylidene-ethyl)-5-methyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-acetyl-3-(2-methoxy-2-oxo-ethyl)-5-methyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-acetyl-3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-2-yl]-2-isocyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-acetyl-3-(2-methoxy-2-oxoethyl)-5-methyl-1H-pyrrol-2-yl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-acetyl-3-(2-keto-2-methoxy-ethyl)-5-methyl-1H-pyrrol-2-yl]-2-isocyano-acrylic acid ethyl ester Formula: C16H18N2O5 MolecularWeight: 318.32452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5/c1-6-23-16(21)13(17-4)8-12-11(7-14(20)22-5)15(10(3)19)9(2)18-12/h8,18H,6-7H2,1-3,5H3/b13-8+