2-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazono]methyl]-4-nitro-phenolate CAS Name: 2-[(E)-[[3-(1-benzotriazolyl)-1-oxopropyl]hydrazinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(E)-[3-(benzotriazol-1-yl)propanoylhydrazono]methyl]-4-nitro-phenolate Formula: C16H13N6O4- MolecularWeight: 353.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CCC(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H14N6O4/c23-15-6-5-12(22(25)26)9-11(15)10-17-19-16(24)7-8-21-14-4-2-1-3-13(14)18-20-21/h1-6,9-10,23H,7-8H2,(H,19,24)/p-1/b17-10+