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

Systemtic Name: ethyl 6-(3-azanylpropanoylamino)-4-oxidanylidene-1H-cinnoline-3-carboxylate hydrochloride Openeye Name: ethyl 6-(3-aminopropanoylamino)-4-oxo-1H-cinnoline-3-carboxylate hydrochloride CAS Name: 6-[(3-amino-1-oxopropyl)amino]-4-oxo-1H-cinnoline-3-carboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 6-(3-aminopropanoylamino)-4-oxo-1H-cinnoline-3-carboxylate hydrochloride Traditional Name: 6-(3-aminopropanoylamino)-4-keto-1H-cinnoline-3-carboxylic acid ethyl ester hydrochloride Formula: C14H17ClN4O4 MolecularWeight: 340.76218

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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O4.ClH/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);1H