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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C(C(=O)N3)[N+](=O)[O-])C(=C2)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C(C(=O)N3)[N+](=O)[O-])C(=C2)C4=CC=CC=C4

InChI

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