(2E)-2-[4-chloranyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-yl]iminoethanoic acid

Systemtic Name: (2E)-2-[4-chloranyl-2-oxidanylidene-3-(phenylmethoxycarbonylamino)pyridin-1-yl]iminoethanoic acid Openeye Name: (2E)-2-[[3-(benzyloxycarbonylamino)-4-chloro-2-oxo-1-pyridyl]imino]acetic acid CAS Name: (2E)-2-[[4-chloro-2-oxo-3-(phenylmethoxycarbonylamino)-1-pyridinyl]imino]acetic acid IUPAC Name: (2E)-2-[4-chloro-2-oxo-3-(phenylmethoxycarbonylamino)pyridin-1-yl]iminoacetic acid Traditional Name: (2E)-2-[[3-(benzyloxycarbonylamino)-4-chloro-2-keto-1-pyridyl]imino]acetic acid Formula: C15H12ClN3O5 MolecularWeight: 349.72588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(C=CN(C2=O)N=CC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(C=CN(C2=O)/N=C/C(=O)O)Cl

InChI

InChI=1S/C15H12ClN3O5/c16-11-6-7-19(17-8-12(20)21)14(22)13(11)18-15(23)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,18,23)(H,20,21)/b17-8+