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

Systemtic Name: 4-methoxy-N-(6-methyl-2-phenyl-benzotriazol-5-yl)-3-nitro-benzamide Openeye Name: 4-methoxy-N-(6-methyl-2-phenyl-benzotriazol-5-yl)-3-nitro-benzamide CAS Name: 4-methoxy-N-(6-methyl-2-phenyl-5-benzotriazolyl)-3-nitrobenzamide IUPAC Name: 4-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-nitrobenzamide Traditional Name: 4-methoxy-N-(6-methyl-2-phenyl-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(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

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

InChI

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