2-nitro-5-(4-phenethylpiperidin-1-yl)carbonyl-phenolate

Systemtic Name: 2-nitro-5-(4-phenethylpiperidin-1-yl)carbonyl-phenolate Openeye Name: 2-nitro-5-(4-phenethylpiperidine-1-carbonyl)phenolate CAS Name: 2-nitro-5-[oxo-(4-phenethyl-1-piperidinyl)methyl]phenolate IUPAC Name: 2-nitro-5-(4-phenethylpiperidine-1-carbonyl)phenolate Traditional Name: 2-nitro-5-(4-phenethylpiperidine-1-carbonyl)phenolate Formula: C20H21N2O4- MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H22N2O4/c23-19-14-17(8-9-18(19)22(25)26)20(24)21-12-10-16(11-13-21)7-6-15-4-2-1-3-5-15/h1-5,8-9,14,16,23H,6-7,10-13H2/p-1