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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4/c1-2-30-18-9-7-16(8-10-18)25-23-19-11-6-15(13-20(19)24-25)22-21(27)14-4-3-5-17(12-14)26(28)29/h3-13H,2H2,1H3,(H,22,27)