4-[[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]methyl]benzoate

Systemtic Name: 4-[[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]methyl]benzoate Openeye Name: 4-[[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]methyl]benzoate Formula: C21H22N3O5- MolecularWeight: 396.41648

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-8-10-23(11-9-14)18-7-6-17(12-19(18)24(28)29)20(25)22-13-15-2-4-16(5-3-15)21(26)27/h2-7,12,14H,8-11,13H2,1H3,(H,22,25)(H,26,27)/p-1