1H-benzimidazol-2-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 1H-benzimidazol-2-ylmethyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 1H-benzimidazol-2-ylmethyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 1H-benzimidazol-2-ylmethyl ester IUPAC Name: 1H-benzimidazol-2-ylmethyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 1H-benzimidazol-2-ylmethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4/c25-20(28-13-19-21-15-6-2-3-7-16(15)22-19)14-8-9-17(18(12-14)24(26)27)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,22)