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

Systemtic Name: (2-oxidanylidenechromen-7-yl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-oxochromen-7-yl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (2-oxochromen-7-yl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-ketochromen-7-yl) ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=CC(=O)O4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N2O6/c25-21-10-7-15-5-8-17(14-20(15)30-21)29-22(26)16-6-9-18(19(13-16)24(27)28)23-11-3-1-2-4-12-23/h5-10,13-14H,1-4,11-12H2