4-acetamido-2-methoxy-5-nitro-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-acetamido-2-methoxy-5-nitro-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid Openeye Name: 4-acetamido-2-methoxy-5-nitro-N-(1-phenethyl-4-piperidyl)benzamide; fumaric acid CAS Name: 4-acetamido-2-methoxy-5-nitro-N-(1-phenethyl-4-piperidinyl)benzamide; (E)-2-butenedioic acid IUPAC Name: 4-acetamido-2-methoxy-5-nitro-N-(1-phenethylpiperidin-4-yl)benzamide; (E)-but-2-enedioic acid Traditional Name: 4-acetamido-2-methoxy-5-nitro-N-(1-phenethyl-4-piperidyl)benzamide; fumaric acid Formula: C50H60N8O14 MolecularWeight: 997.0566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-].CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-].CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C23H28N4O5.C4H4O4/c2*1-16(28)24-20-15-22(32-2)19(14-21(20)27(30)31)23(29)25-18-9-12-26(13-10-18)11-8-17-6-4-3-5-7-17;5-3(6)1-2-4(7)8/h2*3-7,14-15,18H,8-13H2,1-2H3,(H,24,28)(H,25,29);1-2H,(H,5,6)(H,7,8)/b;;2-1+