[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(furan-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-(furan-2-carbonylamino)propanoate CAS Name: 3-[[2-furanyl(oxo)methyl]amino]propanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate Traditional Name: 3-(2-furoylamino)propionic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C16H14ClN3O7 MolecularWeight: 395.75126

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NCCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)NCCC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O7/c17-11-4-3-10(8-12(11)20(24)25)19-14(21)9-27-15(22)5-6-18-16(23)13-2-1-7-26-13/h1-4,7-8H,5-6,9H2,(H,18,23)(H,19,21)