(4-aminocarbonyl-2-nitro-phenyl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H15N5O5 MolecularWeight: 381.3422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H15N5O5/c1-11-16(21-22(20-11)14-5-3-2-4-6-14)18(25)28-10-13-8-7-12(17(19)24)9-15(13)23(26)27/h2-9H,10H2,1H3,(H2,19,24)