N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-4-ethoxy-3-nitro-benzamide CAS Name: N-(6-chloro-2-phenyl-5-benzotriazolyl)-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(6-chloro-2-phenyl-benzotriazol-5-yl)-4-ethoxy-3-nitro-benzamide Formula: C21H16ClN5O4 MolecularWeight: 437.83584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=NN(N=C3C=C2Cl)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN5O4/c1-2-31-20-9-8-13(10-19(20)27(29)30)21(28)23-16-12-18-17(11-15(16)22)24-26(25-18)14-6-4-3-5-7-14/h3-12H,2H2,1H3,(H,23,28)