methyl 2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-nitro-benzoate

Systemtic Name: methyl 2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-nitro-benzoate Openeye Name: methyl 2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-nitro-benzoate CAS Name: 2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-nitrobenzoate Traditional Name: 2-[(E)-3-(7-methoxy-3,4,5,6-tetrahydro-2H-azepin-2-yl)prop-1-enyl]-5-nitro-benzoic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(CCCC1)CC=CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=NC(CCCC1)C/C=C/C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H22N2O5/c1-24-17-9-4-3-7-14(19-17)8-5-6-13-10-11-15(20(22)23)12-16(13)18(21)25-2/h5-6,10-12,14H,3-4,7-9H2,1-2H3/b6-5+