3-[1-[[4-(methylamino)-3-nitro-phenyl]methyl]benzimidazol-2-yl]propanoic acid

Systemtic Name: 3-[1-[[4-(methylamino)-3-nitro-phenyl]methyl]benzimidazol-2-yl]propanoic acid Openeye Name: 3-[1-[[4-(methylamino)-3-nitro-phenyl]methyl]benzimidazol-2-yl]propanoic acid CAS Name: 3-[1-[[4-(methylamino)-3-nitrophenyl]methyl]-2-benzimidazolyl]propanoic acid IUPAC Name: 3-[1-[[4-(methylamino)-3-nitrophenyl]methyl]benzimidazol-2-yl]propanoic acid Traditional Name: 3-[1-[4-(methylamino)-3-nitro-benzyl]benzimidazol-2-yl]propionic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-19-13-7-6-12(10-16(13)22(25)26)11-21-15-5-3-2-4-14(15)20-17(21)8-9-18(23)24/h2-7,10,19H,8-9,11H2,1H3,(H,23,24)