[1-(phenylmethyl)piperidin-4-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [1-(phenylmethyl)piperidin-4-yl] 2-azanyl-4-nitro-benzoate Openeye Name: (1-benzyl-4-piperidyl) 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-4-yl) 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid (1-benzyl-4-piperidyl) ester Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1OC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c20-18-12-15(22(24)25)6-7-17(18)19(23)26-16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16H,8-11,13,20H2