1-[3-(7-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(7-chloranyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(7-chloro-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(7-chloro-4-keto-6-nitro-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylisonipecotic acid Formula: C23H23ClN4O8S MolecularWeight: 550.96872

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H23ClN4O8S/c1-2-9-36-20-4-3-14(37(34,35)27-7-5-13(6-8-27)23(30)31)10-16(20)21-25-18-12-17(24)19(28(32)33)11-15(18)22(29)26-21/h3-4,10-13H,2,5-9H2,1H3,(H,30,31)(H,25,26,29)