[4-aminocarbonyl-2-(aziridin-1-yl)-5-nitro-phenyl] ethanoate

Systemtic Name: [4-aminocarbonyl-2-(aziridin-1-yl)-5-nitro-phenyl] ethanoate Openeye Name: [2-(aziridin-1-yl)-4-carbamoyl-5-nitro-phenyl] acetate CAS Name: acetic acid [2-(1-aziridinyl)-4-carbamoyl-5-nitrophenyl] ester IUPAC Name: [2-(aziridin-1-yl)-4-carbamoyl-5-nitrophenyl] acetate Traditional Name: acetic acid (4-carbamoyl-2-ethylenimino-5-nitro-phenyl) ester Formula: C11H11N3O5 MolecularWeight: 265.22214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N)N2CC2

Isomeric SMILES

CC(=O)OC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N)N2CC2

InChI

InChI=1S/C11H11N3O5/c1-6(15)19-10-5-8(14(17)18)7(11(12)16)4-9(10)13-2-3-13/h4-5H,2-3H2,1H3,(H2,12,16)