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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])Cl

InChI

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