octyl 2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: octyl 2-azanyl-3-(3-nitro-4-oxidanyl-phenyl)propanoate Openeye Name: octyl 2-amino-3-(4-hydroxy-3-nitro-phenyl)propanoate CAS Name: 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoic acid octyl ester IUPAC Name: octyl 2-amino-3-(4-hydroxy-3-nitrophenyl)propanoate Traditional Name: 2-amino-3-(4-hydroxy-3-nitro-phenyl)propionic acid octyl ester Formula: C17H26N2O5 MolecularWeight: 338.39874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])N

Isomeric SMILES

CCCCCCCCOC(=O)C(CC1=CC(=C(C=C1)O)[N+](=O)[O-])N

InChI

InChI=1S/C17H26N2O5/c1-2-3-4-5-6-7-10-24-17(21)14(18)11-13-8-9-16(20)15(12-13)19(22)23/h8-9,12,14,20H,2-7,10-11,18H2,1H3