N-(2-butyl-1,2,3,4-tetrazol-5-yl)-4-ethoxy-N-(4-ethoxy-3-nitro-phenyl)carbonyl-3-nitro-benzamide

Systemtic Name: N-(2-butyl-1,2,3,4-tetrazol-5-yl)-4-ethoxy-N-(4-ethoxy-3-nitro-phenyl)carbonyl-3-nitro-benzamide Openeye Name: N-(2-butyltetrazol-5-yl)-4-ethoxy-N-(4-ethoxy-3-nitro-benzoyl)-3-nitro-benzamide CAS Name: N-(2-butyl-5-tetrazolyl)-4-ethoxy-N-[(4-ethoxy-3-nitrophenyl)-oxomethyl]-3-nitrobenzamide IUPAC Name: N-(2-butyltetrazol-5-yl)-4-ethoxy-N-(4-ethoxy-3-nitrobenzoyl)-3-nitrobenzamide Traditional Name: N-(2-butyltetrazol-5-yl)-4-ethoxy-N-(4-ethoxy-3-nitro-benzoyl)-3-nitro-benzamide Formula: C23H25N7O8 MolecularWeight: 527.4867

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1N=C(N=N1)N(C(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCCN1N=C(N=N1)N(C(=O)C2=CC(=C(C=C2)OCC)[N+](=O)[O-])C(=O)C3=CC(=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H25N7O8/c1-4-7-12-27-25-23(24-26-27)28(21(31)15-8-10-19(37-5-2)17(13-15)29(33)34)22(32)16-9-11-20(38-6-3)18(14-16)30(35)36/h8-11,13-14H,4-7,12H2,1-3H3