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

Systemtic Name: (3S)-4-[(2-cyanophenyl)amino]-3-(furan-2-ylmethylazaniumyl)-4-oxidanylidene-butanoate Openeye Name: (3S)-4-(2-cyanoanilino)-3-(2-furylmethylammonio)-4-oxo-butanoate CAS Name: (3S)-4-(2-cyanoanilino)-3-(2-furanylmethylammonio)-4-oxobutanoate IUPAC Name: (3S)-4-(2-cyanoanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate Traditional Name: (3S)-4-(2-cyanoanilino)-3-(2-furfurylammonio)-4-keto-butyrate Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4/c17-9-11-4-1-2-6-13(11)19-16(22)14(8-15(20)21)18-10-12-5-3-7-23-12/h1-7,14,18H,8,10H2,(H,19,22)(H,20,21)/t14-/m0/s1