dimethyl (Z,4Z)-3-azanyl-2-cyano-4-(quinolin-4-ylmethylidene)pent-2-enedioate

Systemtic Name: dimethyl (Z,4Z)-3-azanyl-2-cyano-4-(quinolin-4-ylmethylidene)pent-2-enedioate Openeye Name: dimethyl (Z,4Z)-3-amino-2-cyano-4-(4-quinolylmethylene)pent-2-enedioate CAS Name: (Z,4Z)-3-amino-2-cyano-4-(4-quinolinylmethylidene)-2-pentenedioic acid dimethyl ester IUPAC Name: dimethyl (Z,4Z)-3-amino-2-cyano-4-(quinolin-4-ylmethylidene)pent-2-enedioate Traditional Name: (Z,4Z)-3-amino-2-cyano-4-(4-quinolylmethylene)pent-2-enedioic acid dimethyl ester Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=NC2=CC=CC=C12)C(=C(C#N)C(=O)OC)N

Isomeric SMILES

COC(=O)/C(=C\C1=CC=NC2=CC=CC=C12)/C(=C(\C#N)/C(=O)OC)/N

InChI

InChI=1S/C18H15N3O4/c1-24-17(22)13(16(20)14(10-19)18(23)25-2)9-11-7-8-21-15-6-4-3-5-12(11)15/h3-9H,20H2,1-2H3/b13-9-,16-14-