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

Systemtic Name: (E)-4,4-dimethyl-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid Openeye Name: (E)-4,4-dimethyl-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid CAS Name: (E)-4,4-dimethyl-5-[[(4-nitrophenyl)methoxy-oxomethyl]amino]-2-pentenoic acid IUPAC Name: (E)-4,4-dimethyl-5-[(4-nitrophenyl)methoxycarbonylamino]pent-2-enoic acid Traditional Name: (E)-4,4-dimethyl-5-[(4-nitrobenzyl)oxycarbonylamino]pent-2-enoic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

CC(C)(CNC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C15H18N2O6/c1-15(2,8-7-13(18)19)10-16-14(20)23-9-11-3-5-12(6-4-11)17(21)22/h3-8H,9-10H2,1-2H3,(H,16,20)(H,18,19)/b8-7+