(E)-3-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-[(2-nitrophenyl)methyl]-4-imidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(2-nitrobenzyl)imidazol-4-yl]acrylic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4/c17-13(18)6-5-11-8-15(9-14-11)7-10-3-1-2-4-12(10)16(19)20/h1-6,8-9H,7H2,(H,17,18)/b6-5+