(E)-4-[(4-isocyanophenyl)methyl-methoxy-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[(4-isocyanophenyl)methyl-methoxy-amino]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-hydroxy-4-[(4-isocyanophenyl)methyl-methoxy-amino]-2-oxo-but-3-enoic acid CAS Name: (E)-4-hydroxy-4-[(4-isocyanophenyl)methyl-methoxyamino]-2-oxo-3-butenoic acid IUPAC Name: (E)-4-hydroxy-4-[(4-isocyanophenyl)methyl-methoxyamino]-2-oxobut-3-enoic acid Traditional Name: (E)-4-hydroxy-4-[(4-isocyanobenzyl)-methoxy-amino]-2-keto-but-3-enoic acid Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CON(CC1=CC=C(C=C1)[N+]#[C-])C(=CC(=O)C(=O)O)O

Isomeric SMILES

CON(CC1=CC=C(C=C1)[N+]#[C-])/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H12N2O5/c1-14-10-5-3-9(4-6-10)8-15(20-2)12(17)7-11(16)13(18)19/h3-7,17H,8H2,2H3,(H,18,19)/b12-7+