N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-chloranyl-4-nitro-benzamide

Systemtic Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-chloro-4-nitro-benzamide CAS Name: N-[(E)-1-(1-benzotriazolyl)propan-2-ylideneamino]-2-chloro-4-nitrobenzamide IUPAC Name: N-[(E)-1-(benzotriazol-1-yl)propan-2-ylideneamino]-2-chloro-4-nitrobenzamide Traditional Name: N-[(E)-[2-(benzotriazol-1-yl)-1-methyl-ethylidene]amino]-2-chloro-4-nitro-benzamide Formula: C16H13ClN6O3 MolecularWeight: 372.76582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C/C(=N\NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl)/CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H13ClN6O3/c1-10(9-22-15-5-3-2-4-14(15)19-21-22)18-20-16(24)12-7-6-11(23(25)26)8-13(12)17/h2-8H,9H2,1H3,(H,20,24)/b18-10+