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

Systemtic Name: octyl 3-(4-methoxy-3-nitro-phenyl)-2-(propanoylamino)propanoate Openeye Name: octyl 3-(4-methoxy-3-nitro-phenyl)-2-(propanoylamino)propanoate CAS Name: 3-(4-methoxy-3-nitrophenyl)-2-(1-oxopropylamino)propanoic acid octyl ester IUPAC Name: octyl 3-(4-methoxy-3-nitrophenyl)-2-(propanoylamino)propanoate Traditional Name: 3-(4-methoxy-3-nitro-phenyl)-2-propionamido-propionic acid octyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O6/c1-4-6-7-8-9-10-13-29-21(25)17(22-20(24)5-2)14-16-11-12-19(28-3)18(15-16)23(26)27/h11-12,15,17H,4-10,13-14H2,1-3H3,(H,22,24)