3-(5-chloranyl-2-nitro-phenoxy)heptyl-methyl-carbamic acid

Systemtic Name: 3-(5-chloranyl-2-nitro-phenoxy)heptyl-methyl-carbamic acid Openeye Name: 3-(5-chloro-2-nitro-phenoxy)heptyl-methyl-carbamic acid CAS Name: 3-(5-chloro-2-nitrophenoxy)heptyl-methylcarbamic acid IUPAC Name: 3-(5-chloro-2-nitrophenoxy)heptyl-methylcarbamic acid Traditional Name: 3-(5-chloro-2-nitro-phenoxy)heptyl-methyl-carbamic acid Formula: C15H21ClN2O5 MolecularWeight: 344.79064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCN(C)C(=O)O)OC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCN(C)C(=O)O)OC1=C(C=CC(=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H21ClN2O5/c1-3-4-5-12(8-9-17(2)15(19)20)23-14-10-11(16)6-7-13(14)18(21)22/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,19,20)