ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate

Systemtic Name: ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate Openeye Name: ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate CAS Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoate Traditional Name: 4-[(3-nitro-1,2,4-triazol-1-yl)methylamino]benzoic acid ethyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O4/c1-2-21-11(18)9-3-5-10(6-4-9)13-7-16-8-14-12(15-16)17(19)20/h3-6,8,13H,2,7H2,1H3