ethyl 4-[[(1R,2R)-2-nitro-1-phenyl-propyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1R,2R)-2-nitro-1-phenyl-propyl]amino]benzoate Openeye Name: ethyl 4-[[(1R,2R)-2-nitro-1-phenyl-propyl]amino]benzoate CAS Name: 4-[[(1R,2R)-2-nitro-1-phenylpropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1R,2R)-2-nitro-1-phenylpropyl]amino]benzoate Traditional Name: 4-[[(1R,2R)-2-nitro-1-phenyl-propyl]amino]benzoic acid ethyl ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=C2)C(C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N[C@H](C2=CC=CC=C2)[C@@H](C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O4/c1-3-24-18(21)15-9-11-16(12-10-15)19-17(13(2)20(22)23)14-7-5-4-6-8-14/h4-13,17,19H,3H2,1-2H3/t13-,17+/m1/s1