2-azanylbenzoic acid; (2S)-3-(4-hydroxyphenyl)-2-nitramido-propanoic acid

Systemtic Name: 2-azanylbenzoic acid; (2S)-3-(4-hydroxyphenyl)-2-nitramido-propanoic acid Openeye Name: 2-aminobenzoic acid; (2S)-3-(4-hydroxyphenyl)-2-nitramido-propanoic acid CAS Name: 2-aminobenzoic acid; (2S)-3-(4-hydroxyphenyl)-2-nitramidopropanoic acid IUPAC Name: 2-aminobenzoic acid; (2S)-3-(4-hydroxyphenyl)-2-nitramidopropanoic acid Traditional Name: anthranilic acid; (2S)-3-(4-hydroxyphenyl)-2-nitramido-propionic acid Formula: C16H17N3O7 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)N.C1=CC(=CC=C1CC(C(=O)O)N[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N[N+](=O)[O-])O

InChI

InChI=1S/C9H10N2O5.C7H7NO2/c12-7-3-1-6(2-4-7)5-8(9(13)14)10-11(15)16;8-6-4-2-1-3-5(6)7(9)10/h1-4,8,10,12H,5H2,(H,13,14);1-4H,8H2,(H,9,10)/t8-;/m0./s1