3-cyanopropyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: 3-cyanopropyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: 3-cyanopropyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid 3-cyanopropyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-13-6-9-19(10-7-13)15-5-4-14(12-16(15)20(22)23)17(21)24-11-3-2-8-18/h4-5,12-13H,2-3,6-7,9-11H2,1H3