methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C24H23N7O5 MolecularWeight: 489.48332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N7O5/c1-36-24(33)18-12-17(13-19(14-18)31(34)35)23(32)28-9-6-16(7-10-28)22-25-8-11-29(22)15-30-21-5-3-2-4-20(21)26-27-30/h2-5,8,11-14,16H,6-7,9-10,15H2,1H3