(2R)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate

Systemtic Name: (2R)-4-[(2-methoxycarbonylphenyl)amino]-4-oxidanylidene-2-(prop-2-enylazaniumyl)butanoate Openeye Name: (2R)-2-(allylammonio)-4-(2-methoxycarbonylanilino)-4-oxo-butanoate CAS Name: (2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-(prop-2-enylammonio)butanoate IUPAC Name: (2R)-4-(2-methoxycarbonylanilino)-4-oxo-2-(prop-2-enylazaniumyl)butanoate Traditional Name: (2R)-2-(allylammonio)-4-(2-carbomethoxyanilino)-4-keto-butyrate Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CC(C(=O)[O-])[NH2+]CC=C

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CC=C

InChI

InChI=1S/C15H18N2O5/c1-3-8-16-12(14(19)20)9-13(18)17-11-7-5-4-6-10(11)15(21)22-2/h3-7,12,16H,1,8-9H2,2H3,(H,17,18)(H,19,20)/t12-/m1/s1