(2-oxidanylidenechromen-7-yl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2-oxochromen-7-yl) 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid (2-ketochromen-7-yl) ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c1-14-3-2-10-23(13-14)18-8-5-16(11-19(18)24(27)28)22(26)29-17-7-4-15-6-9-21(25)30-20(15)12-17/h4-9,11-12,14H,2-3,10,13H2,1H3/t14-/m0/s1