[4-aminocarbonyl-2-(aziridin-1-yl)-3-nitro-phenyl] ethanoate

Systemtic Name: [4-aminocarbonyl-2-(aziridin-1-yl)-3-nitro-phenyl] ethanoate Openeye Name: [2-(aziridin-1-yl)-4-carbamoyl-3-nitro-phenyl] acetate CAS Name: acetic acid [2-(1-aziridinyl)-4-carbamoyl-3-nitrophenyl] ester IUPAC Name: [2-(aziridin-1-yl)-4-carbamoyl-3-nitrophenyl] acetate Traditional Name: acetic acid (4-carbamoyl-2-ethylenimino-3-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)C(=O)N)[N+](=O)[O-])N2CC2

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O5/c1-6(15)19-8-3-2-7(11(12)16)9(14(17)18)10(8)13-4-5-13/h2-3H,4-5H2,1H3,(H2,12,16)