[5-(4-methoxypiperidin-1-yl)-2-nitro-4-(2-phenylethynyl)phenyl]carbamic acid

Systemtic Name: [5-(4-methoxypiperidin-1-yl)-2-nitro-4-(2-phenylethynyl)phenyl]carbamic acid Openeye Name: [5-(4-methoxy-1-piperidyl)-2-nitro-4-(2-phenylethynyl)phenyl]carbamic acid CAS Name: [5-(4-methoxy-1-piperidinyl)-2-nitro-4-(2-phenylethynyl)phenyl]carbamic acid IUPAC Name: [5-(4-methoxypiperidin-1-yl)-2-nitro-4-(2-phenylethynyl)phenyl]carbamic acid Traditional Name: [5-(4-methoxypiperidino)-2-nitro-4-(2-phenylethynyl)phenyl]carbamic acid Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC1CCN(CC1)C2=CC(=C(C=C2C#CC3=CC=CC=C3)[N+](=O)[O-])NC(=O)O

Isomeric SMILES

COC1CCN(CC1)C2=CC(=C(C=C2C#CC3=CC=CC=C3)[N+](=O)[O-])NC(=O)O

InChI

InChI=1S/C21H21N3O5/c1-29-17-9-11-23(12-10-17)19-14-18(22-21(25)26)20(24(27)28)13-16(19)8-7-15-5-3-2-4-6-15/h2-6,13-14,17,22H,9-12H2,1H3,(H,25,26)