methyl (E)-4-(4-fluorophenyl)-2-[(2-isocyanophenyl)amino]-4-oxidanylidene-but-2-enoate

Systemtic Name: methyl (E)-4-(4-fluorophenyl)-2-[(2-isocyanophenyl)amino]-4-oxidanylidene-but-2-enoate Openeye Name: methyl (E)-4-(4-fluorophenyl)-2-(2-isocyanoanilino)-4-oxo-but-2-enoate CAS Name: (E)-4-(4-fluorophenyl)-2-(2-isocyanoanilino)-4-oxo-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(4-fluorophenyl)-2-(2-isocyanoanilino)-4-oxobut-2-enoate Traditional Name: (E)-4-(4-fluorophenyl)-2-(2-isocyanoanilino)-4-keto-but-2-enoic acid methyl ester Formula: C18H13FN2O3 MolecularWeight: 324.305823

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC(=O)C1=CC=C(C=C1)F)NC2=CC=CC=C2[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C\C(=O)C1=CC=C(C=C1)F)/NC2=CC=CC=C2[N+]#[C-]

InChI

InChI=1S/C18H13FN2O3/c1-20-14-5-3-4-6-15(14)21-16(18(23)24-2)11-17(22)12-7-9-13(19)10-8-12/h3-11,21H,2H3/b16-11+