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

Systemtic Name: ethyl (E)-3-[4-(3-acetyloxypropyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate Openeye Name: ethyl (E)-3-[4-(3-acetoxypropyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-(3-acetyloxypropyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-isocyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-(3-acetyloxypropyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-(3-acetoxypropyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-isocyano-acrylic acid ethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O4/c1-6-22-17(21)16(18-5)10-15-11(2)14(12(3)19-15)8-7-9-23-13(4)20/h10,19H,6-9H2,1-4H3/b16-10+