ethyl 4-(6-nitro-7-oxidanylidene-3-phenyl-8H-1,8-naphthyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(6-nitro-7-oxidanylidene-3-phenyl-8H-1,8-naphthyridin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(6-nitro-7-oxo-3-phenyl-8H-1,8-naphthyridin-2-yl)piperazine-1-carboxylate CAS Name: 4-(6-nitro-7-oxo-3-phenyl-8H-1,8-naphthyridin-2-yl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-nitro-7-oxo-3-phenyl-8H-1,8-naphthyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(7-keto-6-nitro-3-phenyl-8H-1,8-naphthyridin-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=O)NC3=N2)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C(=O)NC3=N2)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O5/c1-2-31-21(28)25-10-8-24(9-11-25)19-16(14-6-4-3-5-7-14)12-15-13-17(26(29)30)20(27)23-18(15)22-19/h3-7,12-13H,2,8-11H2,1H3,(H,22,23,27)