N-(4-bromophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(4-bromophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(4-bromophenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(4-bromophenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(4-bromophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(4-bromophenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O3/c1-13-3-2-10-22(12-13)17-9-4-14(11-18(17)23(25)26)19(24)21-16-7-5-15(20)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,21,24)/t13-/m0/s1