methyl 3-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(2-methyl-5-nitro-1,2,4-triazol-3-yl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(2-methyl-5-nitro-1,2,4-triazol-3-yl)anilino)propanoate CAS Name: 3-(N-(2-methyl-5-nitro-1,2,4-triazol-3-yl)anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(2-methyl-5-nitro-1,2,4-triazol-3-yl)anilino)propanoate Traditional Name: 3-(N-(2-methyl-5-nitro-1,2,4-triazol-3-yl)anilino)propionic acid methyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)[N+](=O)[O-])N(CCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CN1C(=NC(=N1)[N+](=O)[O-])N(CCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C13H15N5O4/c1-16-13(14-12(15-16)18(20)21)17(9-8-11(19)22-2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3