dimethyl (E)-2-[(1-cyano-3-phenyl-cyclohepta[b]pyrrol-8-ylidene)amino]but-2-enedioate

Systemtic Name: dimethyl (E)-2-[(1-cyano-3-phenyl-cyclohepta[b]pyrrol-8-ylidene)amino]but-2-enedioate Openeye Name: dimethyl (E)-2-[(1-cyano-3-phenyl-cyclohepta[b]pyrrol-8-ylidene)amino]but-2-enedioate CAS Name: (E)-2-[(1-cyano-3-phenyl-8-cyclohepta[b]pyrrolylidene)amino]-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-[(1-cyano-3-phenylcyclohepta[b]pyrrol-8-ylidene)amino]but-2-enedioate Traditional Name: (E)-2-[(1-cyano-3-phenyl-cyclohepta[b]pyrrol-8-ylidene)amino]but-2-enedioic acid dimethyl ester Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C(=O)OC)N=C1C=CC=CC2=C1N(C=C2C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)/C=C(\C(=O)OC)/N=C1C=CC=CC2=C1N(C=C2C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H17N3O4/c1-28-20(26)12-19(22(27)29-2)24-18-11-7-6-10-16-17(13-25(14-23)21(16)18)15-8-4-3-5-9-15/h3-13H,1-2H3/b19-12+,24-18?