ethyl 6-(3-azanylpropanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 6-(3-azanylpropanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate Openeye Name: ethyl 6-(3-aminopropanoylamino)-4-oxo-1H-cinnoline-3-carboxylate CAS Name: 6-[(3-amino-1-oxopropyl)amino]-4-oxo-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-aminopropanoylamino)-4-oxo-1H-cinnoline-3-carboxylate Traditional Name: 6-(3-aminopropanoylamino)-4-keto-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C14H16N4O4 MolecularWeight: 304.30124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)NC(=O)CCN

Isomeric SMILES

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)NC(=O)CCN

InChI

InChI=1S/C14H16N4O4/c1-2-22-14(21)12-13(20)9-7-8(16-11(19)5-6-15)3-4-10(9)17-18-12/h3-4,7H,2,5-6,15H2,1H3,(H,16,19)(H,17,20)