methyl 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(1H-benzimidazol-2-yl)-1-piperidyl]-5-nitro-benzoate CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(1H-benzimidazol-2-yl)piperidino]-5-nitro-benzoic acid methyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H20N4O4/c1-28-20(25)15-12-14(24(26)27)6-7-18(15)23-10-8-13(9-11-23)19-21-16-4-2-3-5-17(16)22-19/h2-7,12-13H,8-11H2,1H3,(H,21,22)