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

Systemtic Name: N-[(3-methoxy-4-pentoxy-phenyl)-[(3-nitrophenyl)carbonylamino]methyl]-3-nitro-benzamide Openeye Name: N-[(3-methoxy-4-pentoxy-phenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitro-benzamide CAS Name: N-[(3-methoxy-4-pentoxyphenyl)-[[(3-nitrophenyl)-oxomethyl]amino]methyl]-3-nitrobenzamide IUPAC Name: N-[(3-methoxy-4-pentoxyphenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide Traditional Name: N-[(4-amoxy-3-methoxy-phenyl)-[(3-nitrobenzoyl)amino]methyl]-3-nitro-benzamide Formula: C27H28N4O8 MolecularWeight: 536.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C27H28N4O8/c1-3-4-5-14-39-23-13-12-18(17-24(23)38-2)25(28-26(32)19-8-6-10-21(15-19)30(34)35)29-27(33)20-9-7-11-22(16-20)31(36)37/h6-13,15-17,25H,3-5,14H2,1-2H3,(H,28,32)(H,29,33)