(2-oxidanylidenechromen-7-yl) 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-oxochromen-7-yl) 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-ketochromen-7-yl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6/c24-20-9-6-14-4-7-16(13-19(14)29-20)28-21(25)15-5-8-17(18(12-15)23(26)27)22-10-2-1-3-11-22/h4-9,12-13H,1-3,10-11H2