3-(benzotriazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[(E)-(3-nitrophenyl)methyleneamino]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[(E)-(3-nitrophenyl)methylideneamino]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[(E)-(3-nitrobenzylidene)amino]propionamide Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N6O3/c23-16(8-9-21-15-7-2-1-6-14(15)18-20-21)19-17-11-12-4-3-5-13(10-12)22(24)25/h1-7,10-11H,8-9H2,(H,19,23)/b17-11+