N-[2,5-bis(chloranyl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-[2,5-bis(chloranyl)phenyl]-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2,5-dichlorophenyl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2,5-dichlorophenyl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2,5-dichlorophenyl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2,5-dichlorophenyl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C19H19Cl2N3O3 MolecularWeight: 408.27846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19Cl2N3O3/c1-12-3-2-8-23(11-12)17-7-4-13(9-18(17)24(26)27)19(25)22-16-10-14(20)5-6-15(16)21/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,22,25)/t12-/m0/s1