sodium ethyl (E)-3-[(3-cyclohexa-1,4-dien-1-yloxy-3-oxidanylidene-propyl)amino]but-2-enoate

Systemtic Name: sodium ethyl (E)-3-[(3-cyclohexa-1,4-dien-1-yloxy-3-oxidanylidene-propyl)amino]but-2-enoate Openeye Name: sodium ethyl (E)-3-[(3-cyclohexa-1,4-dien-1-yloxy-3-oxo-propyl)amino]but-2-enoate CAS Name: sodium (E)-3-[[3-(1-cyclohexa-1,4-dienyloxy)-3-oxopropyl]amino]-2-butenoic acid ethyl ester IUPAC Name: sodium ethyl (E)-3-[(3-cyclohexa-1,4-dien-1-yloxy-3-oxopropyl)amino]but-2-enoate Traditional Name: sodium (E)-3-[(3-cyclohexa-1,4-dien-1-yloxy-3-keto-propyl)amino]but-2-enoic acid ethyl ester Formula: C15H21NNaO4+ MolecularWeight: 302.32131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NCCC(=O)OC1=CCC=CC1.[Na+]

Isomeric SMILES

CCOC(=O)/C=C(\C)/NCCC(=O)OC1=CCC=CC1.[Na+]

InChI

InChI=1S/C15H21NO4.Na/c1-3-19-15(18)11-12(2)16-10-9-14(17)20-13-7-5-4-6-8-13;/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3;/q;+1/b12-11+;