4-(4-acetamido-3-nitro-phenoxy)phthalic acid

Systemtic Name: 4-(4-acetamido-3-nitro-phenoxy)phthalic acid Openeye Name: 4-(4-acetamido-3-nitro-phenoxy)phthalic acid CAS Name: 4-(4-acetamido-3-nitrophenoxy)phthalic acid IUPAC Name: 4-(4-acetamido-3-nitrophenoxy)phthalic acid Traditional Name: 4-(4-acetamido-3-nitro-phenoxy)phthalic acid Formula: C16H12N2O8 MolecularWeight: 360.27508

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)OC2=CC(=C(C=C2)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O8/c1-8(19)17-13-5-3-10(7-14(13)18(24)25)26-9-2-4-11(15(20)21)12(6-9)16(22)23/h2-7H,1H3,(H,17,19)(H,20,21)(H,22,23)