6-chloranyl-3-(5-methylbenzotriazol-1-yl)-7-nitro-3-phenyl-2-benzofuran-1-one

Systemtic Name: 6-chloranyl-3-(5-methylbenzotriazol-1-yl)-7-nitro-3-phenyl-2-benzofuran-1-one Openeye Name: 6-chloro-3-(5-methylbenzotriazol-1-yl)-7-nitro-3-phenyl-isobenzofuran-1-one CAS Name: 6-chloro-3-(5-methyl-1-benzotriazolyl)-7-nitro-3-phenyl-1-isobenzofuranone IUPAC Name: 6-chloro-3-(5-methylbenzotriazol-1-yl)-7-nitro-3-phenyl-2-benzofuran-1-one Traditional Name: 6-chloro-3-(5-methylbenzotriazol-1-yl)-7-nitro-3-phenyl-phthalide Formula: C21H13ClN4O4 MolecularWeight: 420.80532

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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)Cl)[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)Cl)[N+](=O)[O-])C(=O)O3)C5=CC=CC=C5

InChI

InChI=1S/C21H13ClN4O4/c1-12-7-10-17-16(11-12)23-24-25(17)21(13-5-3-2-4-6-13)14-8-9-15(22)19(26(28)29)18(14)20(27)30-21/h2-11H,1H3