[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (1-allophanoyl-2-methyl-propyl) 4-(3-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzoic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(3-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzoic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C19H26N4O6 MolecularWeight: 406.43294

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC(C(C)C)C(=O)NC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O6/c1-11(2)16(17(24)21-19(20)26)29-18(25)13-6-7-14(15(9-13)23(27)28)22-8-4-5-12(3)10-22/h6-7,9,11-12,16H,4-5,8,10H2,1-3H3,(H3,20,21,24,26)