4-[(3-ethoxycarbonyl-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-4-ylidene)methylamino]butanoate

Systemtic Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanylidene-benzo[g][1]benzofuran-4-ylidene)methylamino]butanoate Openeye Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxo-benzo[g]benzofuran-4-ylidene)methylamino]butanoate CAS Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxo-4-benzo[g]benzofuranylidene)methylamino]butanoate IUPAC Name: 4-[(3-ethoxycarbonyl-2-methyl-5-oxobenzo[g][1]benzofuran-4-ylidene)methylamino]butanoate Traditional Name: 4-[(3-carbethoxy-5-keto-2-methyl-benzo[g]benzofuran-4-ylidene)methylamino]butyrate Formula: C21H20NO6- MolecularWeight: 382.3866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=CNCCCC(=O)[O-])C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=CNCCCC(=O)[O-])C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C21H21NO6/c1-3-27-21(26)17-12(2)28-20-14-8-5-4-7-13(14)19(25)15(18(17)20)11-22-10-6-9-16(23)24/h4-5,7-8,11,22H,3,6,9-10H2,1-2H3,(H,23,24)/p-1