(3-nitrophenyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (3-nitrophenyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (3-nitrophenyl) 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (3-nitrophenyl) ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6/c1-13-4-3-9-20(12-13)17-8-7-14(10-18(17)22(26)27)19(23)28-16-6-2-5-15(11-16)21(24)25/h2,5-8,10-11,13H,3-4,9,12H2,1H3/t13-/m0/s1