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

Systemtic Name: 3-chloranyl-4-methoxy-5-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H20ClN3O6/c1-30-18-15(21)9-12(20(26)27)10-16(18)22-19(25)14-11-13(24(28)29)5-6-17(14)23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8H2,1H3,(H,22,25)(H,26,27)