methyl 5-nitro-2-[(E)-3-(7-oxidanylideneazepan-2-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 5-nitro-2-[(E)-3-(7-oxidanylideneazepan-2-yl)prop-1-enyl]benzoate Openeye Name: methyl 5-nitro-2-[(E)-3-(7-oxoazepan-2-yl)prop-1-enyl]benzoate CAS Name: 5-nitro-2-[(E)-3-(7-oxo-2-azepanyl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(E)-3-(7-oxoazepan-2-yl)prop-1-enyl]benzoate Traditional Name: 2-[(E)-3-(7-ketoazepan-2-yl)prop-1-enyl]-5-nitro-benzoic acid methyl ester Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])C=CCC2CCCCC(=O)N2

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])/C=C/CC2CCCCC(=O)N2

InChI

InChI=1S/C17H20N2O5/c1-24-17(21)15-11-14(19(22)23)10-9-12(15)5-4-7-13-6-2-3-8-16(20)18-13/h4-5,9-11,13H,2-3,6-8H2,1H3,(H,18,20)/b5-4+