(6-nitrobenzotriazol-1-yl) 2-methylbenzoate

Systemtic Name: (6-nitrobenzotriazol-1-yl) 2-methylbenzoate Openeye Name: (6-nitrobenzotriazol-1-yl) 2-methylbenzoate CAS Name: 2-methylbenzoic acid (6-nitro-1-benzotriazolyl) ester IUPAC Name: (6-nitrobenzotriazol-1-yl) 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (6-nitrobenzotriazol-1-yl) ester Formula: C14H10N4O4 MolecularWeight: 298.2536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC1=CC=CC=C1C(=O)ON2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C14H10N4O4/c1-9-4-2-3-5-11(9)14(19)22-17-13-8-10(18(20)21)6-7-12(13)15-16-17/h2-8H,1H3