N-(4-ethoxyphenyl)-4-[(2,4,6-trinitrophenyl)amino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(2,4,6-trinitrophenyl)amino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-(2,4,6-trinitroanilino)benzamide CAS Name: N-(4-ethoxyphenyl)-4-(2,4,6-trinitroanilino)benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-(2,4,6-trinitroanilino)benzamide Traditional Name: N-p-phenetyl-4-(2,4,6-trinitroanilino)benzamide Formula: C21H17N5O8 MolecularWeight: 467.38838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O8/c1-2-34-17-9-7-15(8-10-17)23-21(27)13-3-5-14(6-4-13)22-20-18(25(30)31)11-16(24(28)29)12-19(20)26(32)33/h3-12,22H,2H2,1H3,(H,23,27)