2-chloranyl-2-(4-cyclohexyl-3-methoxy-5-nitro-phenyl)ethanoic acid

Systemtic Name: 2-chloranyl-2-(4-cyclohexyl-3-methoxy-5-nitro-phenyl)ethanoic acid Openeye Name: 2-chloro-2-(4-cyclohexyl-3-methoxy-5-nitro-phenyl)acetic acid CAS Name: 2-chloro-2-(4-cyclohexyl-3-methoxy-5-nitrophenyl)acetic acid IUPAC Name: 2-chloro-2-(4-cyclohexyl-3-methoxy-5-nitrophenyl)acetic acid Traditional Name: 2-chloro-2-(4-cyclohexyl-3-methoxy-5-nitro-phenyl)acetic acid Formula: C15H18ClNO5 MolecularWeight: 327.76012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1C2CCCCC2)[N+](=O)[O-])C(C(=O)O)Cl

Isomeric SMILES

COC1=CC(=CC(=C1C2CCCCC2)[N+](=O)[O-])C(C(=O)O)Cl

InChI

InChI=1S/C15H18ClNO5/c1-22-12-8-10(14(16)15(18)19)7-11(17(20)21)13(12)9-5-3-2-4-6-9/h7-9,14H,2-6H2,1H3,(H,18,19)