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

Systemtic Name: octyl 2-azanyl-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: octyl 2-amino-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: 2-amino-3-(4-methoxy-3-nitrophenyl)propanoic acid octyl ester IUPAC Name: octyl 2-amino-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: 2-amino-3-(4-methoxy-3-nitro-phenyl)propionic acid octyl ester Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-3-4-5-6-7-8-11-25-18(21)15(19)12-14-9-10-17(24-2)16(13-14)20(22)23/h9-10,13,15H,3-8,11-12,19H2,1-2H3