8-[(4-chloranyl-3-nitro-phenyl)amino]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-[(4-chloranyl-3-nitro-phenyl)amino]-8-oxidanylidene-octanoic acid Openeye Name: 8-(4-chloro-3-nitro-anilino)-8-oxo-octanoic acid CAS Name: 8-(4-chloro-3-nitroanilino)-8-oxooctanoic acid IUPAC Name: 8-(4-chloro-3-nitroanilino)-8-oxooctanoic acid Traditional Name: 8-(4-chloro-3-nitro-anilino)-8-keto-caprylic acid Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCCCCCC(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCCCCCC(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H17ClN2O5/c15-11-8-7-10(9-12(11)17(21)22)16-13(18)5-3-1-2-4-6-14(19)20/h7-9H,1-6H2,(H,16,18)(H,19,20)