2-[2-azanyl-4-(2-ethoxycarbonyl-3-nitro-phenyl)carbonyl-imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-4-(2-ethoxycarbonyl-3-nitro-phenyl)carbonyl-imidazol-1-yl]ethanoic acid Openeye Name: 2-[2-amino-4-(2-ethoxycarbonyl-3-nitro-benzoyl)imidazol-1-yl]acetic acid CAS Name: 2-[2-amino-4-[(2-ethoxycarbonyl-3-nitrophenyl)-oxomethyl]-1-imidazolyl]acetic acid IUPAC Name: 2-[2-amino-4-(2-ethoxycarbonyl-3-nitrobenzoyl)imidazol-1-yl]acetic acid Traditional Name: 2-[2-amino-4-(2-carbethoxy-3-nitro-benzoyl)imidazol-1-yl]acetic acid Formula: C15H14N4O7 MolecularWeight: 362.29426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)C2=CN(C(=N2)N)CC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])C(=O)C2=CN(C(=N2)N)CC(=O)O

InChI

InChI=1S/C15H14N4O7/c1-2-26-14(23)12-8(4-3-5-10(12)19(24)25)13(22)9-6-18(7-11(20)21)15(16)17-9/h3-6H,2,7H2,1H3,(H2,16,17)(H,20,21)