N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[2-(3,4-dimethylphenyl)-5-benzotriazolyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[2-(3,4-dimethylphenyl)benzotriazol-5-yl]-4-ethoxy-3-nitro-benzamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2)C4=CC(=C(C=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4/c1-4-32-22-10-6-16(12-21(22)28(30)31)23(29)24-17-7-9-19-20(13-17)26-27(25-19)18-8-5-14(2)15(3)11-18/h5-13H,4H2,1-3H3,(H,24,29)