[5-acetamido-2-[[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-nitro-phenyl] ethanoate

Systemtic Name: [5-acetamido-2-[[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-nitro-phenyl] ethanoate Openeye Name: [5-acetamido-2-[[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]carbamoyl]-4-nitro-phenyl] acetate CAS Name: acetic acid [5-acetamido-2-[[[1-(1-cyclohexa-1,3-dienylmethyl)-4-piperidinyl]amino]-oxomethyl]-4-nitrophenyl] ester IUPAC Name: [5-acetamido-2-[[1-(cyclohexa-1,3-dien-1-ylmethyl)piperidin-4-yl]carbamoyl]-4-nitrophenyl] acetate Traditional Name: acetic acid [5-acetamido-2-[[1-(cyclohexa-1,3-dien-1-ylmethyl)-4-piperidyl]carbamoyl]-4-nitro-phenyl] ester Formula: C23H28N4O6 MolecularWeight: 456.49162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C(=C1)OC(=O)C)C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C(C(=C1)OC(=O)C)C(=O)NC2CCN(CC2)CC3=CC=CCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O6/c1-15(28)24-20-13-22(33-16(2)29)19(12-21(20)27(31)32)23(30)25-18-8-10-26(11-9-18)14-17-6-4-3-5-7-17/h3-4,6,12-13,18H,5,7-11,14H2,1-2H3,(H,24,28)(H,25,30)