(E)-4-[1-[(4-isocyanophenyl)methyl]pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[1-[(4-isocyanophenyl)methyl]pyrrol-2-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-4-[1-[(4-isocyanophenyl)methyl]pyrrol-2-yl]-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[1-[(4-isocyanophenyl)methyl]-2-pyrrolyl]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[1-[(4-isocyanophenyl)methyl]pyrrol-2-yl]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-4-[1-(4-isocyanobenzyl)pyrrol-2-yl]-2-keto-but-3-enoic acid Formula: C16H12N2O4 MolecularWeight: 296.27748

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN2C=CC=C2C(=CC(=O)C(=O)O)O

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN2C=CC=C2/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C16H12N2O4/c1-17-12-6-4-11(5-7-12)10-18-8-2-3-13(18)14(19)9-15(20)16(21)22/h2-9,19H,10H2,(H,21,22)/b14-9+