ethyl 6-[3-azanylpropanoyl(phenylmethoxycarbonyl)amino]-4-oxidanylidene-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 6-[3-azanylpropanoyl(phenylmethoxycarbonyl)amino]-4-oxidanylidene-1H-cinnoline-3-carboxylate Openeye Name: ethyl 6-[3-aminopropanoyl(benzyloxycarbonyl)amino]-4-oxo-1H-cinnoline-3-carboxylate CAS Name: 6-[(3-amino-1-oxopropyl)-phenylmethoxycarbonylamino]-4-oxo-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-aminopropanoyl(phenylmethoxycarbonyl)amino]-4-oxo-1H-cinnoline-3-carboxylate Traditional Name: 6-[3-aminopropanoyl(carbobenzoxy)amino]-4-keto-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C22H22N4O6 MolecularWeight: 438.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)N(C(=O)CCN)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)N(C(=O)CCN)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O6/c1-2-31-21(29)19-20(28)16-12-15(8-9-17(16)24-25-19)26(18(27)10-11-23)22(30)32-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13,23H2,1H3,(H,24,28)