2-methylpropyl 5-(aziridin-1-yl)-2,4-dinitro-benzoate

Systemtic Name: 2-methylpropyl 5-(aziridin-1-yl)-2,4-dinitro-benzoate Openeye Name: isobutyl 5-(aziridin-1-yl)-2,4-dinitro-benzoate CAS Name: 5-(1-aziridinyl)-2,4-dinitrobenzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(aziridin-1-yl)-2,4-dinitrobenzoate Traditional Name: 5-ethylenimino-2,4-dinitro-benzoic acid isobutyl ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-8(2)7-22-13(17)9-5-11(14-3-4-14)12(16(20)21)6-10(9)15(18)19/h5-6,8H,3-4,7H2,1-2H3