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

Systemtic Name: methyl 3-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-[1-(2-methoxyethoxymethyl)-2-imidazolyl]-1-piperidinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-[1-(2-methoxyethoxymethyl)imidazol-2-yl]piperidine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C21H26N4O7 MolecularWeight: 446.45374

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCN1C=CN=C1C2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COCCOCN1C=CN=C1C2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H26N4O7/c1-30-9-10-32-14-24-8-5-22-19(24)15-3-6-23(7-4-15)20(26)16-11-17(21(27)31-2)13-18(12-16)25(28)29/h5,8,11-13,15H,3-4,6-7,9-10,14H2,1-2H3