2-[(5-aminocarbonyl-2,4-dinitro-phenyl)amino]ethyl propanoate

Systemtic Name: 2-[(5-aminocarbonyl-2,4-dinitro-phenyl)amino]ethyl propanoate Openeye Name: 2-(5-carbamoyl-2,4-dinitro-anilino)ethyl propanoate CAS Name: propanoic acid 2-(5-carbamoyl-2,4-dinitroanilino)ethyl ester IUPAC Name: 2-(5-carbamoyl-2,4-dinitroanilino)ethyl propanoate Traditional Name: propionic acid 2-(5-carbamoyl-2,4-dinitro-anilino)ethyl ester Formula: C12H14N4O7 MolecularWeight: 326.26216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCCNC1=C(C=C(C(=C1)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OCCNC1=C(C=C(C(=C1)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O7/c1-2-11(17)23-4-3-14-8-5-7(12(13)18)9(15(19)20)6-10(8)16(21)22/h5-6,14H,2-4H2,1H3,(H2,13,18)