N-[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-2-nitro-benzamide

Systemtic Name: N-[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-2-nitro-benzamide Openeye Name: N-[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-2-nitro-benzamide CAS Name: N-[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-2-nitrobenzamide IUPAC Name: N-[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-2-nitrobenzamide Traditional Name: N-[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]-2-nitro-benzamide Formula: C21H16ClN5O4 MolecularWeight: 437.83584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C21H16ClN5O4/c1-12-9-17-18(25-26(24-17)13-7-8-20(31-2)15(22)10-13)11-16(12)23-21(28)14-5-3-4-6-19(14)27(29)30/h3-11H,1-2H3,(H,23,28)