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

Systemtic Name: 3-chloranyl-4-methoxy-5-[(3-nitro-4-piperidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-chloro-4-methoxy-5-[[3-nitro-4-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 3-chloro-4-methoxy-5-[[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-methoxy-5-[(3-nitro-4-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-chloro-4-methoxy-5-[(3-nitro-4-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=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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