methyl 3-(4-nitrophenyl)-3-oxidanyl-2-[(propan-2-ylamino)methyl]propanoate

Systemtic Name: methyl 3-(4-nitrophenyl)-3-oxidanyl-2-[(propan-2-ylamino)methyl]propanoate Openeye Name: methyl 3-hydroxy-2-[(isopropylamino)methyl]-3-(4-nitrophenyl)propanoate CAS Name: 3-hydroxy-3-(4-nitrophenyl)-2-[(propan-2-ylamino)methyl]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-3-(4-nitrophenyl)-2-[(propan-2-ylamino)methyl]propanoate Traditional Name: 3-hydroxy-2-[(isopropylamino)methyl]-3-(4-nitrophenyl)propionic acid methyl ester Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=O)OC

Isomeric SMILES

CC(C)NCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=O)OC

InChI

InChI=1S/C14H20N2O5/c1-9(2)15-8-12(14(18)21-3)13(17)10-4-6-11(7-5-10)16(19)20/h4-7,9,12-13,15,17H,8H2,1-3H3