4-(benzotriazol-1-ylmethyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-(2-hydroxy-5-nitro-benzyl)benzamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NCC4=C(C=CC(=C4)[N+](=O)[O-])O

InChI

InChI=1S/C21H17N5O4/c27-20-10-9-17(26(29)30)11-16(20)12-22-21(28)15-7-5-14(6-8-15)13-25-19-4-2-1-3-18(19)23-24-25/h1-11,27H,12-13H2,(H,22,28)