3-methyl-4-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid

Systemtic Name: 3-methyl-4-[(5-nitro-2-piperidin-1-yl-phenyl)carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[5-nitro-2-(1-piperidyl)benzoyl]amino]benzoic acid CAS Name: 3-methyl-4-[[[5-nitro-2-(1-piperidinyl)phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(5-nitro-2-piperidin-1-ylbenzoyl)amino]benzoic acid Traditional Name: 3-methyl-4-[(5-nitro-2-piperidino-benzoyl)amino]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C20H21N3O5/c1-13-11-14(20(25)26)5-7-17(13)21-19(24)16-12-15(23(27)28)6-8-18(16)22-9-3-2-4-10-22/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,24)(H,25,26)