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

Systemtic Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-4-methyl-3-nitro-benzamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c1-13-3-4-14(11-20(13)26(28)29)21(27)22-15-5-10-18-19(12-15)24-25(23-18)16-6-8-17(30-2)9-7-16/h3-12H,1-2H3,(H,22,27)