methyl 4-[[(4-nitrophenyl)amino]methyl]benzoate; 1H-1,2,4-triazole

Systemtic Name: methyl 4-[[(4-nitrophenyl)amino]methyl]benzoate; 1H-1,2,4-triazole Openeye Name: methyl 4-[(4-nitroanilino)methyl]benzoate; 1H-1,2,4-triazole CAS Name: 4-[(4-nitroanilino)methyl]benzoic acid methyl ester; 1H-1,2,4-triazole IUPAC Name: methyl 4-[(4-nitroanilino)methyl]benzoate; 1H-1,2,4-triazole Traditional Name: 4-[(4-nitroanilino)methyl]benzoic acid methyl ester; 1H-1,2,4-triazole Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=CC=C(C=C2)[N+](=O)[O-].C1=NC=NN1

InChI

InChI=1S/C15H14N2O4.C2H3N3/c1-21-15(18)12-4-2-11(3-5-12)10-16-13-6-8-14(9-7-13)17(19)20;1-3-2-5-4-1/h2-9,16H,10H2,1H3;1-2H,(H,3,4,5)