3-chloranyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]-5-nitro-benzoic acid

Systemtic Name: 3-chloranyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]-5-nitro-benzoic acid Openeye Name: 3-chloro-4-[5-(3-methylisoxazol-5-yl)pentoxy]-5-nitro-benzoic acid CAS Name: 3-chloro-4-[5-(3-methyl-5-isoxazolyl)pentoxy]-5-nitrobenzoic acid IUPAC Name: 3-chloro-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]-5-nitrobenzoic acid Traditional Name: 3-chloro-4-[5-(3-methylisoxazol-5-yl)pentoxy]-5-nitro-benzoic acid Formula: C16H17ClN2O6 MolecularWeight: 368.76898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CCCCCOC2=C(C=C(C=C2Cl)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN2O6/c1-10-7-12(25-18-10)5-3-2-4-6-24-15-13(17)8-11(16(20)21)9-14(15)19(22)23/h7-9H,2-6H2,1H3,(H,20,21)