2-[[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[4-(benzotriazol-1-ylmethyl)phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]-4-nitro-phenolate Formula: C21H16N5O4- MolecularWeight: 402.38284

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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)/p-1