2-azanyl-4-(2-hydroxyethylcarbamoyl)-5-nitro-3-phenyl-benzoic acid

Systemtic Name: 2-azanyl-4-(2-hydroxyethylcarbamoyl)-5-nitro-3-phenyl-benzoic acid Openeye Name: 2-amino-4-(2-hydroxyethylcarbamoyl)-5-nitro-3-phenyl-benzoic acid CAS Name: 2-amino-4-[(2-hydroxyethylamino)-oxomethyl]-5-nitro-3-phenylbenzoic acid IUPAC Name: 2-amino-4-(2-hydroxyethylcarbamoyl)-5-nitro-3-phenylbenzoic acid Traditional Name: 2-amino-4-(2-hydroxyethylcarbamoyl)-5-nitro-3-phenyl-benzoic acid Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC(=C2C(=O)NCCO)[N+](=O)[O-])C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC(=C2C(=O)NCCO)[N+](=O)[O-])C(=O)O)N

InChI

InChI=1S/C16H15N3O6/c17-14-10(16(22)23)8-11(19(24)25)13(15(21)18-6-7-20)12(14)9-4-2-1-3-5-9/h1-5,8,20H,6-7,17H2,(H,18,21)(H,22,23)