2-[[4-[(Z)-1,2-dicyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]-[2-(phenylcarbonyloxy)ethyl]amino]ethyl benzoate

Systemtic Name: 2-[[4-[(Z)-1,2-dicyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]-[2-(phenylcarbonyloxy)ethyl]amino]ethyl benzoate Openeye Name: 2-[N-(2-benzoyloxyethyl)-4-[(Z)-1,2-dicyano-3-ethoxy-3-oxo-prop-1-enyl]anilino]ethyl benzoate CAS Name: benzoic acid 2-[N-(2-benzoyloxyethyl)-4-[(Z)-1,2-dicyano-3-ethoxy-3-oxoprop-1-enyl]anilino]ethyl ester IUPAC Name: 2-[N-(2-benzoyloxyethyl)-4-[(Z)-1,2-dicyano-3-ethoxy-3-oxoprop-1-enyl]anilino]ethyl benzoate Traditional Name: benzoic acid 2-[N-(2-benzoyloxyethyl)-4-[(Z)-1,2-dicyano-3-ethoxy-3-keto-prop-1-enyl]anilino]ethyl ester Formula: C31H27N3O6 MolecularWeight: 537.56258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C#N)C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C#N)/C1=CC=C(C=C1)N(CCOC(=O)C2=CC=CC=C2)CCOC(=O)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C31H27N3O6/c1-2-38-31(37)28(22-33)27(21-32)23-13-15-26(16-14-23)34(17-19-39-29(35)24-9-5-3-6-10-24)18-20-40-30(36)25-11-7-4-8-12-25/h3-16H,2,17-20H2,1H3/b28-27+