[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)C3=CC4=C(C=C3)OCC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c25-18(13-4-6-19-15(9-13)22-20(26)12-30-19)11-31-21(27)14-3-5-16(17(10-14)24(28)29)23-7-1-2-8-23/h3-6,9-10H,1-2,7-8,11-12H2,(H,22,26)