N-methyl-N-[(3-nitrophenyl)methyl]-2H-benzotriazole-5-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-2H-benzotriazole-5-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-2H-benzotriazole-5-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-2H-benzotriazole-5-carboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-2H-benzotriazole-5-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-2H-benzotriazole-5-carboxamide Formula: C15H13N5O3 MolecularWeight: 311.29542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=CC3=NNN=C3C=C2

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=CC3=NNN=C3C=C2

InChI

InChI=1S/C15H13N5O3/c1-19(9-10-3-2-4-12(7-10)20(22)23)15(21)11-5-6-13-14(8-11)17-18-16-13/h2-8H,9H2,1H3,(H,16,17,18)