2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3-oxidanyl-propanoic acid

Systemtic Name: 2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitro-phenyl]-3-oxidanyl-propanoic acid Openeye Name: 2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3-hydroxy-2-methyl-propanoic acid CAS Name: 3-hydroxy-2-methyl-2-[4-[methyl-(phenylmethyl)amino]-3-nitrophenyl]propanoic acid IUPAC Name: 2-[4-[benzyl(methyl)amino]-3-nitrophenyl]-3-hydroxy-2-methylpropanoic acid Traditional Name: 2-[4-[benzyl(methyl)amino]-3-nitro-phenyl]-3-hydroxy-2-methyl-propionic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(CO)(C1=CC(=C(C=C1)N(C)CC2=CC=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H20N2O5/c1-18(12-21,17(22)23)14-8-9-15(16(10-14)20(24)25)19(2)11-13-6-4-3-5-7-13/h3-10,21H,11-12H2,1-2H3,(H,22,23)