2-[1-(1-hydroxyethyl)-2-[(3-nitrophenyl)carbonylamino]benzimidazol-5-yl]ethanoic acid

Systemtic Name: 2-[1-(1-hydroxyethyl)-2-[(3-nitrophenyl)carbonylamino]benzimidazol-5-yl]ethanoic acid Openeye Name: 2-[1-(1-hydroxyethyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl]acetic acid CAS Name: 2-[1-(1-hydroxyethyl)-2-[[(3-nitrophenyl)-oxomethyl]amino]-5-benzimidazolyl]acetic acid IUPAC Name: 2-[1-(1-hydroxyethyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl]acetic acid Traditional Name: 2-[1-(1-hydroxyethyl)-2-[(3-nitrobenzoyl)amino]benzimidazol-5-yl]acetic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1C2=C(C=C(C=C2)CC(=O)O)N=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

Isomeric SMILES

CC(N1C2=C(C=C(C=C2)CC(=O)O)N=C1NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N4O6/c1-10(23)21-15-6-5-11(8-16(24)25)7-14(15)19-18(21)20-17(26)12-3-2-4-13(9-12)22(27)28/h2-7,9-10,23H,8H2,1H3,(H,24,25)(H,19,20,26)