methyl 2-[(4-methyl-2-nitro-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoate

Systemtic Name: methyl 2-[(4-methyl-2-nitro-3-oxidanyl-phenyl)carbonylamino]-3-oxidanyl-butanoate Openeye Name: methyl 3-hydroxy-2-[(3-hydroxy-4-methyl-2-nitro-benzoyl)amino]butanoate CAS Name: 3-hydroxy-2-[[(3-hydroxy-4-methyl-2-nitrophenyl)-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(3-hydroxy-4-methyl-2-nitrobenzoyl)amino]butanoate Traditional Name: 3-hydroxy-2-[(3-hydroxy-4-methyl-2-nitro-benzoyl)amino]butyric acid methyl ester Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)OC)[N+](=O)[O-])O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)NC(C(C)O)C(=O)OC)[N+](=O)[O-])O

InChI

InChI=1S/C13H16N2O7/c1-6-4-5-8(10(11(6)17)15(20)21)12(18)14-9(7(2)16)13(19)22-3/h4-5,7,9,16-17H,1-3H3,(H,14,18)