methyl 3-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-(2-methylpropanoyl)-4-piperidyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-(2-methyl-1-oxopropyl)-4-piperidinyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(1-isobutyryl-4-piperidyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H23N3O6/c1-11(2)17(23)20-6-4-14(5-7-20)19-16(22)12-8-13(18(24)27-3)10-15(9-12)21(25)26/h8-11,14H,4-7H2,1-3H3,(H,19,22)