3-(5-methylbenzotriazol-1-yl)-4-nitro-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-(5-methylbenzotriazol-1-yl)-4-nitro-3-phenyl-2-benzofuran-1-one Openeye Name: 3-(5-methylbenzotriazol-1-yl)-4-nitro-3-phenyl-isobenzofuran-1-one CAS Name: 3-(5-methyl-1-benzotriazolyl)-4-nitro-3-phenyl-1-isobenzofuranone IUPAC Name: 3-(5-methylbenzotriazol-1-yl)-4-nitro-3-phenyl-2-benzofuran-1-one Traditional Name: 3-(5-methylbenzotriazol-1-yl)-4-nitro-3-phenyl-phthalide Formula: C21H14N4O4 MolecularWeight: 386.36026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(N=N2)C3(C4=C(C=CC=C4[N+](=O)[O-])C(=O)O3)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(N=N2)C3(C4=C(C=CC=C4[N+](=O)[O-])C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C21H14N4O4/c1-13-10-11-17-16(12-13)22-23-24(17)21(14-6-3-2-4-7-14)19-15(20(26)29-21)8-5-9-18(19)25(27)28/h2-12H,1H3