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

Systemtic Name: N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Openeye Name: N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide CAS Name: N-[2-(4-methoxyphenyl)-6-methyl-5-benzotriazolyl]-3-nitrobenzamide IUPAC Name: N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide Traditional Name: N-[2-(4-methoxyphenyl)-6-methyl-benzotriazol-5-yl]-3-nitro-benzamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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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

Isomeric SMILES

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

InChI

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