2-[1-[(2-carboxy-4-oxidanyl-phenyl)methoxyamino]ethylcarbamoyl]-5-nitro-benzoic acid

Systemtic Name: 2-[1-[(2-carboxy-4-oxidanyl-phenyl)methoxyamino]ethylcarbamoyl]-5-nitro-benzoic acid Openeye Name: 2-[1-[(2-carboxy-4-hydroxy-phenyl)methoxyamino]ethylcarbamoyl]-5-nitro-benzoic acid CAS Name: 2-[[1-[(2-carboxy-4-hydroxyphenyl)methoxyamino]ethylamino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 2-[1-[(2-carboxy-4-hydroxyphenyl)methoxyamino]ethylcarbamoyl]-5-nitrobenzoic acid Traditional Name: 2-[1-[(2-carboxy-4-hydroxy-benzyl)oxyamino]ethylcarbamoyl]-5-nitro-benzoic acid Formula: C18H17N3O9 MolecularWeight: 419.34228

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O)NOCC2=C(C=C(C=C2)O)C(=O)O

Isomeric SMILES

CC(NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O)NOCC2=C(C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C18H17N3O9/c1-9(20-30-8-10-2-4-12(22)7-14(10)17(24)25)19-16(23)13-5-3-11(21(28)29)6-15(13)18(26)27/h2-7,9,20,22H,8H2,1H3,(H,19,23)(H,24,25)(H,26,27)