(3S)-3-azaniumyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3S)-3-azaniumyl-4-[(4-methyl-2-oxidanylidene-chromen-7-yl)amino]-4-oxidanylidene-butanoate Openeye Name: (3S)-3-azaniumyl-4-[(4-methyl-2-oxo-chromen-7-yl)amino]-4-oxo-butanoate CAS Name: (3S)-3-ammonio-4-[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-4-oxobutanoate IUPAC Name: (3S)-3-azaniumyl-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoate Traditional Name: (3S)-3-ammonio-4-keto-4-[(2-keto-4-methyl-chromen-7-yl)amino]butyrate Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C14H14N2O5/c1-7-4-13(19)21-11-5-8(2-3-9(7)11)16-14(20)10(15)6-12(17)18/h2-5,10H,6,15H2,1H3,(H,16,20)(H,17,18)/t10-/m0/s1