ethyl-(N'-ethylcarbamimidoyl)-(3-nitrophenyl)-(2-oxidanylidenechromen-8-yl)azanium

Systemtic Name: ethyl-(N'-ethylcarbamimidoyl)-(3-nitrophenyl)-(2-oxidanylidenechromen-8-yl)azanium Openeye Name: ethyl-(N'-ethylcarbamimidoyl)-(3-nitrophenyl)-(2-oxochromen-8-yl)ammonium CAS Name: [amino(ethylimino)methyl]-ethyl-(3-nitrophenyl)-(2-oxo-1-benzopyran-8-yl)ammonium IUPAC Name: ethyl-(N'-ethylcarbamimidoyl)-(3-nitrophenyl)-(2-oxochromen-8-yl)azanium Traditional Name: ethyl-(N'-ethylamidino)-(2-ketochromen-8-yl)-(3-nitrophenyl)ammonium Formula: C20H21N4O4+ MolecularWeight: 381.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN=C(N)[N+](CC)(C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=CC3=C2OC(=O)C=C3

Isomeric SMILES

CCN=C(N)[N+](CC)(C1=CC=CC(=C1)[N+](=O)[O-])C2=CC=CC3=C2OC(=O)C=C3

InChI

InChI=1S/C20H21N4O4/c1-3-22-20(21)24(4-2,16-9-6-8-15(13-16)23(26)27)17-10-5-7-14-11-12-18(25)28-19(14)17/h5-13H,3-4H2,1-2H3,(H2,21,22)/q+1