2-[2-(carboxymethyl)phenoxy]-4-methyl-3-nitro-benzoic acid

Systemtic Name: 2-[2-(carboxymethyl)phenoxy]-4-methyl-3-nitro-benzoic acid Openeye Name: 2-[2-(carboxymethyl)phenoxy]-4-methyl-3-nitro-benzoic acid CAS Name: 2-[2-(carboxymethyl)phenoxy]-4-methyl-3-nitrobenzoic acid IUPAC Name: 2-[2-(carboxymethyl)phenoxy]-4-methyl-3-nitrobenzoic acid Traditional Name: 2-[2-(carboxymethyl)phenoxy]-4-methyl-3-nitro-benzoic acid Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)O)OC2=CC=CC=C2CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)O)OC2=CC=CC=C2CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c1-9-6-7-11(16(20)21)15(14(9)17(22)23)24-12-5-3-2-4-10(12)8-13(18)19/h2-7H,8H2,1H3,(H,18,19)(H,20,21)