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

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)-[(3-nitrophenyl)carbonylamino]methyl]-3-nitro-benzamide Openeye Name: N-[(4-butoxy-3-methoxy-phenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitro-benzamide CAS Name: N-[(4-butoxy-3-methoxyphenyl)-[[(3-nitrophenyl)-oxomethyl]amino]methyl]-3-nitrobenzamide IUPAC Name: N-[(4-butoxy-3-methoxyphenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide Traditional Name: N-[(4-butoxy-3-methoxy-phenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitro-benzamide Formula: C26H26N4O8 MolecularWeight: 522.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C26H26N4O8/c1-3-4-13-38-22-12-11-17(16-23(22)37-2)24(27-25(31)18-7-5-9-20(14-18)29(33)34)28-26(32)19-8-6-10-21(15-19)30(35)36/h5-12,14-16,24H,3-4,13H2,1-2H3,(H,27,31)(H,28,32)