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

Systemtic Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]-4-methyl-3-nitro-benzamide Formula: C21H16ClN5O3 MolecularWeight: 421.83644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2C)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O3/c1-12-3-4-14(10-20(12)27(29)30)21(28)23-17-11-19-18(9-13(17)2)24-26(25-19)16-7-5-15(22)6-8-16/h3-11H,1-2H3,(H,23,28)