2-[[4-[(3-nitrophenoxy)methyl]phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-[(3-nitrophenoxy)methyl]phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-[(3-nitrophenoxy)methyl]phenyl]methoxycarbonylamino]-3-phenyl-propanoic acid CAS Name: 2-[[[4-[(3-nitrophenoxy)methyl]phenyl]methoxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-[(3-nitrophenoxy)methyl]phenyl]methoxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-[(3-nitrophenoxy)methyl]benzyl]oxycarbonylamino]-3-phenyl-propionic acid Formula: C24H22N2O7 MolecularWeight: 450.44068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=C(C=C2)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OCC2=CC=C(C=C2)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O7/c27-23(28)22(13-17-5-2-1-3-6-17)25-24(29)33-16-19-11-9-18(10-12-19)15-32-21-8-4-7-20(14-21)26(30)31/h1-12,14,22H,13,15-16H2,(H,25,29)(H,27,28)