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

Systemtic Name: N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-4-methyl-3-nitro-benzamide CAS Name: N-(6-chloro-2-phenyl-5-benzotriazolyl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-4-methyl-3-nitro-benzamide Formula: C20H14ClN5O3 MolecularWeight: 407.80986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14ClN5O3/c1-12-7-8-13(9-19(12)26(28)29)20(27)22-16-11-18-17(10-15(16)21)23-25(24-18)14-5-3-2-4-6-14/h2-11H,1H3,(H,22,27)