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

Systemtic Name: 1-[3-(7-azanyl-6-nitro-4-oxidanylidene-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(7-amino-6-nitro-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[3-(7-amino-4-keto-6-nitro-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylnipecotic acid Formula: C23H25N5O8S MolecularWeight: 531.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O8S/c1-2-8-36-20-6-5-14(37(34,35)27-7-3-4-13(12-27)23(30)31)9-16(20)21-25-18-11-17(24)19(28(32)33)10-15(18)22(29)26-21/h5-6,9-11,13H,2-4,7-8,12,24H2,1H3,(H,30,31)(H,25,26,29)