3-(5-methylbenzotriazol-1-yl)-6-nitro-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-(5-methylbenzotriazol-1-yl)-6-nitro-3-phenyl-2-benzofuran-1-one Openeye Name: 3-(5-methylbenzotriazol-1-yl)-6-nitro-3-phenyl-isobenzofuran-1-one CAS Name: 3-(5-methyl-1-benzotriazolyl)-6-nitro-3-phenyl-1-isobenzofuranone IUPAC Name: 3-(5-methylbenzotriazol-1-yl)-6-nitro-3-phenyl-2-benzofuran-1-one Traditional Name: 3-(5-methylbenzotriazol-1-yl)-6-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=C(C=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=C(C=C4)[N+](=O)[O-])C(=O)O3)C5=CC=CC=C5

InChI

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