methyl 2-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2-cyano-3-oxidanylidene-3-phenylazanyl-propanoate

Systemtic Name: methyl 2-[3,5-bis(oxidanylidene)-4-phenyl-1,2,4-triazolidin-1-yl]-2-cyano-3-oxidanylidene-3-phenylazanyl-propanoate Openeye Name: methyl 3-anilino-2-cyano-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-oxo-propanoate CAS Name: 3-anilino-2-cyano-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-anilino-2-cyano-2-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-3-oxopropanoate Traditional Name: 3-anilino-2-cyano-2-(3,5-diketo-4-phenyl-1,2,4-triazolidin-1-yl)-3-keto-propionic acid methyl ester Formula: C19H15N5O5 MolecularWeight: 393.3529

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)(C(=O)NC1=CC=CC=C1)N2C(=O)N(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C#N)(C(=O)NC1=CC=CC=C1)N2C(=O)N(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C19H15N5O5/c1-29-16(26)19(12-20,15(25)21-13-8-4-2-5-9-13)24-18(28)23(17(27)22-24)14-10-6-3-7-11-14/h2-11H,1H3,(H,21,25)(H,22,27)