2-[(Z)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[(Z)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[(Z)-[3-(benzotriazol-1-yl)propanoylhydrazono]methyl]-4-chloro-6-nitro-phenolate CAS Name: 2-[(Z)-[[3-(1-benzotriazolyl)-1-oxopropyl]hydrazinylidene]methyl]-4-chloro-6-nitrophenolate IUPAC Name: 2-[(Z)-[3-(benzotriazol-1-yl)propanoylhydrazinylidene]methyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[(Z)-[3-(benzotriazol-1-yl)propanoylhydrazono]methyl]-4-chloro-6-nitro-phenolate Formula: C16H12ClN6O4- MolecularWeight: 387.75728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN6O4/c17-11-7-10(16(25)14(8-11)23(26)27)9-18-20-15(24)5-6-22-13-4-2-1-3-12(13)19-21-22/h1-4,7-9,25H,5-6H2,(H,20,24)/p-1/b18-9-