3-(4-hydroxyphenyl)propyl 7-nitro-2,4-bis(oxidanylidene)-1H-quinoline-3-carboxylate

Systemtic Name: 3-(4-hydroxyphenyl)propyl 7-nitro-2,4-bis(oxidanylidene)-1H-quinoline-3-carboxylate Openeye Name: 3-(4-hydroxyphenyl)propyl 7-nitro-2,4-dioxo-1H-quinoline-3-carboxylate CAS Name: 7-nitro-2,4-dioxo-1H-quinoline-3-carboxylic acid 3-(4-hydroxyphenyl)propyl ester IUPAC Name: 3-(4-hydroxyphenyl)propyl 7-nitro-2,4-dioxo-1H-quinoline-3-carboxylate Traditional Name: 2,4-diketo-7-nitro-1H-quinoline-3-carboxylic acid 3-(4-hydroxyphenyl)propyl ester Formula: C19H16N2O7 MolecularWeight: 384.33954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCOC(=O)C2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O

Isomeric SMILES

C1=CC(=CC=C1CCCOC(=O)C2C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O

InChI

InChI=1S/C19H16N2O7/c22-13-6-3-11(4-7-13)2-1-9-28-19(25)16-17(23)14-8-5-12(21(26)27)10-15(14)20-18(16)24/h3-8,10,16,22H,1-2,9H2,(H,20,24)