ethyl (2R)-2-(hexanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate

Systemtic Name: ethyl (2R)-2-(hexanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: ethyl (2R)-2-(hexanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: (2R)-3-(4-methoxy-3-nitrophenyl)-2-(1-oxohexylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(hexanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: (2R)-2-(caproylamino)-3-(4-methoxy-3-nitro-phenyl)propionic acid ethyl ester Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(=O)N[C@H](CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C18H26N2O6/c1-4-6-7-8-17(21)19-14(18(22)26-5-2)11-13-9-10-16(25-3)15(12-13)20(23)24/h9-10,12,14H,4-8,11H2,1-3H3,(H,19,21)/t14-/m1/s1