[2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate

Systemtic Name: [2-[(3-cyano-4,5-diphenyl-furan-2-yl)amino]-2-oxidanylidene-ethyl] 3-azanyl-4-methyl-benzoate Openeye Name: [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-oxo-ethyl] 3-amino-4-methyl-benzoate CAS Name: 3-amino-4-methylbenzoic acid [2-[(3-cyano-4,5-diphenyl-2-furanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 3-amino-4-methylbenzoate Traditional Name: 3-amino-4-methyl-benzoic acid [2-[(3-cyano-4,5-diphenyl-2-furyl)amino]-2-keto-ethyl] ester Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)N

InChI

InChI=1S/C27H21N3O4/c1-17-12-13-20(14-22(17)29)27(32)33-16-23(31)30-26-21(15-28)24(18-8-4-2-5-9-18)25(34-26)19-10-6-3-7-11-19/h2-14H,16,29H2,1H3,(H,30,31)