4-(benzotriazol-1-ylmethyl)-N-[2-[(4-nitrophenyl)amino]ethyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[2-[(4-nitrophenyl)amino]ethyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(4-nitroanilino)ethyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[2-(4-nitroanilino)ethyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(4-nitroanilino)ethyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[2-(4-nitroanilino)ethyl]benzamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O3/c29-22(24-14-13-23-18-9-11-19(12-10-18)28(30)31)17-7-5-16(6-8-17)15-27-21-4-2-1-3-20(21)25-26-27/h1-12,23H,13-15H2,(H,24,29)