[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C21H24N4O4/c1-3-4-11-25-18-8-6-5-7-16(18)24-17(21(25)28)9-10-20(27)29-13-19(26)15(12-22)14(2)23/h5-8H,3-4,9-11,13,23H2,1-2H3/b15-14+