3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzoic acid

Systemtic Name: 3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]benzoic acid Openeye Name: 4-[(1-benzyl-4-piperidyl)amino]-3-nitro-benzoic acid CAS Name: 3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]benzoic acid IUPAC Name: 4-[(1-benzylpiperidin-4-yl)amino]-3-nitrobenzoic acid Traditional Name: 4-[(1-benzyl-4-piperidyl)amino]-3-nitro-benzoic acid Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O4/c23-19(24)15-6-7-17(18(12-15)22(25)26)20-16-8-10-21(11-9-16)13-14-4-2-1-3-5-14/h1-7,12,16,20H,8-11,13H2,(H,23,24)