phenyl 3-[5-(3-methoxy-2-nitro-phenyl)-2-(methylamino)-4-oxidanylidene-furan-3-yl]benzoate

Systemtic Name: phenyl 3-[5-(3-methoxy-2-nitro-phenyl)-2-(methylamino)-4-oxidanylidene-furan-3-yl]benzoate Openeye Name: phenyl 3-[5-(3-methoxy-2-nitro-phenyl)-2-(methylamino)-4-oxo-3-furyl]benzoate CAS Name: 3-[5-(3-methoxy-2-nitrophenyl)-2-(methylamino)-4-oxo-3-furanyl]benzoic acid phenyl ester IUPAC Name: phenyl 3-[5-(3-methoxy-2-nitrophenyl)-2-(methylamino)-4-oxofuran-3-yl]benzoate Traditional Name: 3-[4-keto-5-(3-methoxy-2-nitro-phenyl)-2-(methylamino)-3-furyl]benzoic acid phenyl ester Formula: C25H20N2O7 MolecularWeight: 460.4355

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=O)C(O1)C2=C(C(=CC=C2)OC)[N+](=O)[O-])C3=CC(=CC=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CNC1=C(C(=O)C(O1)C2=C(C(=CC=C2)OC)[N+](=O)[O-])C3=CC(=CC=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H20N2O7/c1-26-24-20(15-8-6-9-16(14-15)25(29)33-17-10-4-3-5-11-17)22(28)23(34-24)18-12-7-13-19(32-2)21(18)27(30)31/h3-14,23,26H,1-2H3