(E)-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid

Systemtic Name: (E)-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid Openeye Name: (E)-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid CAS Name: (E)-5-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-pentenoic acid IUPAC Name: (E)-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid Traditional Name: (E)-5-[(4-nitrobenzyl)oxycarbonylamino]pent-2-enoic acid Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)NCCC=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)NCC/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O6/c16-12(17)3-1-2-8-14-13(18)21-9-10-4-6-11(7-5-10)15(19)20/h1,3-7H,2,8-9H2,(H,14,18)(H,16,17)/b3-1+