[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(2-furoylamino)-3-phenyl-propionic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C22H19N3O7 MolecularWeight: 437.40216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=CC=CO3

InChI

InChI=1S/C22H19N3O7/c26-20(23-16-8-4-9-17(13-16)25(29)30)14-32-22(28)18(12-15-6-2-1-3-7-15)24-21(27)19-10-5-11-31-19/h1-11,13,18H,12,14H2,(H,23,26)(H,24,27)