2-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[(4-methyl-2-nitro-3-phenylmethoxy-phenyl)carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(3-benzyloxy-4-methyl-2-nitro-benzoyl)amino]-3-hydroxy-butanoic acid CAS Name: 3-hydroxy-2-[[(4-methyl-2-nitro-3-phenylmethoxyphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[(4-methyl-2-nitro-3-phenylmethoxybenzoyl)amino]butanoic acid Traditional Name: 2-[(3-benzoxy-4-methyl-2-nitro-benzoyl)amino]-3-hydroxy-butyric acid Formula: C19H20N2O7 MolecularWeight: 388.3713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C19H20N2O7/c1-11-8-9-14(18(23)20-15(12(2)22)19(24)25)16(21(26)27)17(11)28-10-13-6-4-3-5-7-13/h3-9,12,15,22H,10H2,1-2H3,(H,20,23)(H,24,25)