2,2-bis[(3S)-1-(4-ethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]propanedinitrile

Systemtic Name: 2,2-bis[(3S)-1-(4-ethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]propanedinitrile Openeye Name: 2,2-bis[(3S)-1-(4-ethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]propanedinitrile CAS Name: 2,2-bis[(3S)-1-(4-ethylphenyl)-2,5-dioxo-3-pyrrolidinyl]propanedinitrile IUPAC Name: 2,2-bis[(3S)-1-(4-ethylphenyl)-2,5-dioxopyrrolidin-3-yl]propanedinitrile Traditional Name: 2,2-bis[(3S)-1-(4-ethylphenyl)-2,5-diketo-pyrrolidin-3-yl]malononitrile Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)CC(C2=O)C(C#N)(C#N)C3CC(=O)N(C3=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)C(C#N)(C#N)[C@@H]3CC(=O)N(C3=O)C4=CC=C(C=C4)CC

InChI

InChI=1S/C27H24N4O4/c1-3-17-5-9-19(10-6-17)30-23(32)13-21(25(30)34)27(15-28,16-29)22-14-24(33)31(26(22)35)20-11-7-18(4-2)8-12-20/h5-12,21-22H,3-4,13-14H2,1-2H3/t21-,22-/m1/s1