(3S)-4-[(2-bromophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate

Systemtic Name: (3S)-4-[(2-bromophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-(2-bromoanilino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-(2-bromoanilino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-(2-bromoanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-(2-bromoanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C15H15BrN2O4 MolecularWeight: 367.1946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C(CC(=O)[O-])[NH2+]CC2=CC=CO2)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)[C@H](CC(=O)[O-])[NH2+]CC2=CC=CO2)Br

InChI

InChI=1S/C15H15BrN2O4/c16-11-5-1-2-6-12(11)18-15(21)13(8-14(19)20)17-9-10-4-3-7-22-10/h1-7,13,17H,8-9H2,(H,18,21)(H,19,20)/t13-/m0/s1