4-(4-methylidenepiperidin-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(4-methylidenepiperidin-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(4-methylene-1-piperidyl)-3-nitro-benzoic acid CAS Name: 4-(4-methylene-1-piperidinyl)-3-nitrobenzoic acid IUPAC Name: 4-(4-methylidenepiperidin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(4-methylenepiperidino)-3-nitro-benzoic acid Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

C=C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C=C1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c1-9-4-6-14(7-5-9)11-3-2-10(13(16)17)8-12(11)15(18)19/h2-3,8H,1,4-7H2,(H,16,17)