(2R)-3-methyl-2-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methylazaniumyl]butanoate

Systemtic Name: (2R)-3-methyl-2-[(3-oxidanyl-6-oxidanylidene-benzo[c]chromen-4-yl)methylazaniumyl]butanoate Openeye Name: (2R)-2-[(3-hydroxy-6-oxo-benzo[c]chromen-4-yl)methylammonio]-3-methyl-butanoate CAS Name: (2R)-2-[(3-hydroxy-6-oxo-4-benzo[c][1]benzopyranyl)methylammonio]-3-methylbutanoate IUPAC Name: (2R)-2-[(3-hydroxy-6-oxobenzo[c]chromen-4-yl)methylazaniumyl]-3-methylbutanoate Traditional Name: (2R)-2-[(3-hydroxy-6-keto-benzo[c]chromen-4-yl)methylammonio]-3-methyl-butyrate Formula: C19H19NO5 MolecularWeight: 341.35786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O

Isomeric SMILES

CC(C)[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C3=CC=CC=C23)O

InChI

InChI=1S/C19H19NO5/c1-10(2)16(18(22)23)20-9-14-15(21)8-7-12-11-5-3-4-6-13(11)19(24)25-17(12)14/h3-8,10,16,20-21H,9H2,1-2H3,(H,22,23)/t16-/m1/s1