3-azanyl-2-nitro-4-(2-phenylmethoxyphenyl)carbonyl-benzoic acid

Systemtic Name: 3-azanyl-2-nitro-4-(2-phenylmethoxyphenyl)carbonyl-benzoic acid Openeye Name: 3-amino-4-(2-benzyloxybenzoyl)-2-nitro-benzoic acid CAS Name: 3-amino-2-nitro-4-[oxo-(2-phenylmethoxyphenyl)methyl]benzoic acid IUPAC Name: 3-amino-2-nitro-4-(2-phenylmethoxybenzoyl)benzoic acid Traditional Name: 3-amino-4-(2-benzoxybenzoyl)-2-nitro-benzoic acid Formula: C21H16N2O6 MolecularWeight: 392.36154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)C3=C(C(=C(C=C3)C(=O)O)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC=C2C(=O)C3=C(C(=C(C=C3)C(=O)O)[N+](=O)[O-])N

InChI

InChI=1S/C21H16N2O6/c22-18-15(10-11-16(21(25)26)19(18)23(27)28)20(24)14-8-4-5-9-17(14)29-12-13-6-2-1-3-7-13/h1-11H,12,22H2,(H,25,26)