(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H24N2O6 MolecularWeight: 472.48926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H24N2O6/c30-25-16-20(26-21-8-4-3-7-18(21)10-12-24(26)35-25)17-34-27(31)19-9-11-22(23(15-19)29(32)33)28-13-5-1-2-6-14-28/h3-4,7-12,15-16H,1-2,5-6,13-14,17H2