4-acetamido-2-methoxy-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-acetamido-2-methoxy-5-nitro-N-[1-(phenylmethyl)piperidin-4-yl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-acetamido-N-(1-benzyl-4-piperidyl)-2-methoxy-5-nitro-benzamide; fumaric acid CAS Name: 4-acetamido-2-methoxy-5-nitro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-acetamido-N-(1-benzylpiperidin-4-yl)-2-methoxy-5-nitrobenzamide; (E)-but-2-enedioic acid Traditional Name: 4-acetamido-N-(1-benzyl-4-piperidyl)-2-methoxy-5-nitro-benzamide; fumaric acid Formula: C26H30N4O9 MolecularWeight: 542.5378

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=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)CC3=CC=CC=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H26N4O5.C4H4O4/c1-15(27)23-19-13-21(31-2)18(12-20(19)26(29)30)22(28)24-17-8-10-25(11-9-17)14-16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,23,27)(H,24,28);1-2H,(H,5,6)(H,7,8)/b;2-1+