(6-bromanylnaphthalen-2-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (6-bromanylnaphthalen-2-yl) 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (6-bromo-2-naphthyl) 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (6-bromo-2-naphthalenyl) ester IUPAC Name: (6-bromonaphthalen-2-yl) 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (6-bromo-2-naphthyl) ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H21BrN2O4/c1-15-8-10-25(11-9-15)21-7-4-18(14-22(21)26(28)29)23(27)30-20-6-3-16-12-19(24)5-2-17(16)13-20/h2-7,12-15H,8-11H2,1H3