methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-methyl-3-[[[1-(2-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[1-(2-nitrophenyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 4-methyl-3-[[1-(2-nitrophenyl)isonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-7-8-16(21(26)29-2)13-17(14)22-20(25)15-9-11-23(12-10-15)18-5-3-4-6-19(18)24(27)28/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)