(5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C18H21ClN4O4 MolecularWeight: 392.83674

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC=C(N3C)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=NC=C(N3C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O4/c1-12-5-7-22(8-6-12)14-4-3-13(9-15(14)23(25)26)18(24)27-11-17-20-10-16(19)21(17)2/h3-4,9-10,12H,5-8,11H2,1-2H3