N-[(4-hexoxy-3-methoxy-phenyl)-[(3-nitrophenyl)carbonylamino]methyl]-3-nitro-benzamide

Systemtic Name: N-[(4-hexoxy-3-methoxy-phenyl)-[(3-nitrophenyl)carbonylamino]methyl]-3-nitro-benzamide Openeye Name: N-[(4-hexoxy-3-methoxy-phenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitro-benzamide CAS Name: N-[(4-hexoxy-3-methoxyphenyl)-[[(3-nitrophenyl)-oxomethyl]amino]methyl]-3-nitrobenzamide IUPAC Name: N-[(4-hexoxy-3-methoxyphenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide Traditional Name: N-[(4-hexoxy-3-methoxy-phenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitro-benzamide Formula: C28H30N4O8 MolecularWeight: 550.5598

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C28H30N4O8/c1-3-4-5-6-15-40-24-14-13-19(18-25(24)39-2)26(29-27(33)20-9-7-11-22(16-20)31(35)36)30-28(34)21-10-8-12-23(17-21)32(37)38/h7-14,16-18,26H,3-6,15H2,1-2H3,(H,29,33)(H,30,34)