3-[[benzotriazol-1-yl-(3-nitrophenyl)methyl]amino]benzoic acid

Systemtic Name: 3-[[benzotriazol-1-yl-(3-nitrophenyl)methyl]amino]benzoic acid Openeye Name: 3-[[benzotriazol-1-yl-(3-nitrophenyl)methyl]amino]benzoic acid CAS Name: 3-[[1-benzotriazolyl-(3-nitrophenyl)methyl]amino]benzoic acid IUPAC Name: 3-[[benzotriazol-1-yl-(3-nitrophenyl)methyl]amino]benzoic acid Traditional Name: 3-[[benzotriazol-1-yl-(3-nitrophenyl)methyl]amino]benzoic acid Formula: C20H15N5O4 MolecularWeight: 389.3642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2C(C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2C(C3=CC(=CC=C3)[N+](=O)[O-])NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C20H15N5O4/c26-20(27)14-6-3-7-15(11-14)21-19(13-5-4-8-16(12-13)25(28)29)24-18-10-2-1-9-17(18)22-23-24/h1-12,19,21H,(H,26,27)