2,4-bis(chloranyl)-5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 2,4-dichloro-5-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 2,4-dichloro-5-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2,4-dichloro-5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 2,4-dichloro-5-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid Formula: C19H17Cl2N3O5 MolecularWeight: 438.26138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C19H17Cl2N3O5/c20-14-10-15(21)16(9-12(14)19(26)27)22-18(25)13-8-11(24(28)29)4-5-17(13)23-6-2-1-3-7-23/h4-5,8-10H,1-3,6-7H2,(H,22,25)(H,26,27)