4-[(Z)-3-[5-(dimethylamino)furan-2-yl]-2-isocyano-prop-2-enoyl]benzoic acid

Systemtic Name: 4-[(Z)-3-[5-(dimethylamino)furan-2-yl]-2-isocyano-prop-2-enoyl]benzoic acid Openeye Name: 4-[(Z)-3-[5-(dimethylamino)-2-furyl]-2-isocyano-prop-2-enoyl]benzoic acid CAS Name: 4-[(Z)-3-[5-(dimethylamino)-2-furanyl]-2-isocyano-1-oxoprop-2-enyl]benzoic acid IUPAC Name: 4-[(Z)-3-[5-(dimethylamino)furan-2-yl]-2-isocyanoprop-2-enoyl]benzoic acid Traditional Name: 4-[(Z)-3-[5-(dimethylamino)-2-furyl]-2-isocyano-acryloyl]benzoic acid Formula: C17H14N2O4 MolecularWeight: 310.30406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(O1)C=C(C(=O)C2=CC=C(C=C2)C(=O)O)[N+]#[C-]

Isomeric SMILES

CN(C)C1=CC=C(O1)/C=C(/C(=O)C2=CC=C(C=C2)C(=O)O)\[N+]#[C-]

InChI

InChI=1S/C17H14N2O4/c1-18-14(10-13-8-9-15(23-13)19(2)3)16(20)11-4-6-12(7-5-11)17(21)22/h4-10H,2-3H3,(H,21,22)/b14-10-