(1-azanyl-1-oxidanylidene-butan-2-yl) 3,5-dinitrobenzoate

Systemtic Name: (1-azanyl-1-oxidanylidene-butan-2-yl) 3,5-dinitrobenzoate Openeye Name: 1-carbamoylpropyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1-amino-1-oxobutan-2-yl) ester IUPAC Name: (1-amino-1-oxobutan-2-yl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 1-carbamoylpropyl ester Formula: C11H11N3O7 MolecularWeight: 297.22094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)N)OC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O7/c1-2-9(10(12)15)21-11(16)6-3-7(13(17)18)5-8(4-6)14(19)20/h3-5,9H,2H2,1H3,(H2,12,15)