(4-nitrophenyl) 2-(butoxycarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-(butoxycarbonylamino)-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) 2-(butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[butoxy(oxo)methyl]amino]-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-(butoxycarbonylamino)-3-phenylpropanoate Traditional Name: 2-(butoxycarbonylamino)-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-2-3-13-27-20(24)21-18(14-15-7-5-4-6-8-15)19(23)28-17-11-9-16(10-12-17)22(25)26/h4-12,18H,2-3,13-14H2,1H3,(H,21,24)