4-[(3-nitro-2-oxidanylidene-chromen-4-yl)amino]benzoic acid

Systemtic Name: 4-[(3-nitro-2-oxidanylidene-chromen-4-yl)amino]benzoic acid Openeye Name: 4-[(3-nitro-2-oxo-chromen-4-yl)amino]benzoic acid CAS Name: 4-[(3-nitro-2-oxo-1-benzopyran-4-yl)amino]benzoic acid IUPAC Name: 4-[(3-nitro-2-oxochromen-4-yl)amino]benzoic acid Traditional Name: 4-[(2-keto-3-nitro-chromen-4-yl)amino]benzoic acid Formula: C16H10N2O6 MolecularWeight: 326.2604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H10N2O6/c19-15(20)9-5-7-10(8-6-9)17-13-11-3-1-2-4-12(11)24-16(21)14(13)18(22)23/h1-8,17H,(H,19,20)