ethyl benzoate; 1,2,3-triazirine-1-carbaldehyde

Systemtic Name: ethyl benzoate; 1,2,3-triazirine-1-carbaldehyde Openeye Name: ethyl benzoate; triazirine-1-carbaldehyde CAS Name: benzoic acid ethyl ester; 1-triazirinecarboxaldehyde IUPAC Name: ethyl benzoate; triazirine-1-carbaldehyde Traditional Name: benzoic acid ethyl ester; triazirine-1-carbaldehyde Formula: C10H11N3O3 MolecularWeight: 221.21264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1.C(=O)N1N=N1

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1.C(=O)N1N=N1

InChI

InChI=1S/C9H10O2.CHN3O/c1-2-11-9(10)8-6-4-3-5-7-8;5-1-4-2-3-4/h3-7H,2H2,1H3;1H