1-ethyl-N-[2-[(4-nitrophenyl)amino]ethyl]benzotriazole-5-carboxamide

Systemtic Name: 1-ethyl-N-[2-[(4-nitrophenyl)amino]ethyl]benzotriazole-5-carboxamide Openeye Name: 1-ethyl-N-[2-(4-nitroanilino)ethyl]benzotriazole-5-carboxamide CAS Name: 1-ethyl-N-[2-(4-nitroanilino)ethyl]-5-benzotriazolecarboxamide IUPAC Name: 1-ethyl-N-[2-(4-nitroanilino)ethyl]benzotriazole-5-carboxamide Traditional Name: 1-ethyl-N-[2-(4-nitroanilino)ethyl]benzotriazole-5-carboxamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-])N=N1

InChI

InChI=1S/C17H18N6O3/c1-2-22-16-8-3-12(11-15(16)20-21-22)17(24)19-10-9-18-13-4-6-14(7-5-13)23(25)26/h3-8,11,18H,2,9-10H2,1H3,(H,19,24)