ethyl 6-[2-azanylethanoyl(phenylmethoxycarbonyl)amino]-4-oxidanylidene-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 6-[2-azanylethanoyl(phenylmethoxycarbonyl)amino]-4-oxidanylidene-1H-cinnoline-3-carboxylate Openeye Name: ethyl 6-[(2-aminoacetyl)-benzyloxycarbonyl-amino]-4-oxo-1H-cinnoline-3-carboxylate CAS Name: 6-[(2-amino-1-oxoethyl)-phenylmethoxycarbonylamino]-4-oxo-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2-aminoacetyl)-phenylmethoxycarbonylamino]-4-oxo-1H-cinnoline-3-carboxylate Traditional Name: 6-[carbobenzoxy(glycyl)amino]-4-keto-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O6/c1-2-30-20(28)18-19(27)15-10-14(8-9-16(15)23-24-18)25(17(26)11-22)21(29)31-12-13-6-4-3-5-7-13/h3-10H,2,11-12,22H2,1H3,(H,23,27)