3-[2-carboxyethyl-(2-methoxy-5-nitro-phenyl)amino]propanoic acid

Systemtic Name: 3-[2-carboxyethyl-(2-methoxy-5-nitro-phenyl)amino]propanoic acid Openeye Name: 3-[N-(2-carboxyethyl)-2-methoxy-5-nitro-anilino]propanoic acid CAS Name: 3-[N-(2-carboxyethyl)-2-methoxy-5-nitroanilino]propanoic acid IUPAC Name: 3-[N-(2-carboxyethyl)-2-methoxy-5-nitroanilino]propanoic acid Traditional Name: 3-[N-(2-carboxyethyl)-2-methoxy-5-nitro-anilino]propionic acid Formula: C13H16N2O7 MolecularWeight: 312.27534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H16N2O7/c1-22-11-3-2-9(15(20)21)8-10(11)14(6-4-12(16)17)7-5-13(18)19/h2-3,8H,4-7H2,1H3,(H,16,17)(H,18,19)