[2,4-dinitro-5-(pentan-3-ylamino)phenyl]methyl ethanoate

Systemtic Name: [2,4-dinitro-5-(pentan-3-ylamino)phenyl]methyl ethanoate Openeye Name: [5-(1-ethylpropylamino)-2,4-dinitro-phenyl]methyl acetate CAS Name: acetic acid [2,4-dinitro-5-(pentan-3-ylamino)phenyl]methyl ester IUPAC Name: [2,4-dinitro-5-(pentan-3-ylamino)phenyl]methyl acetate Traditional Name: acetic acid [5-(1-ethylpropylamino)-2,4-dinitro-benzyl] ester Formula: C14H19N3O6 MolecularWeight: 325.31716

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=C(C(=C1)COC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC1=C(C=C(C(=C1)COC(=O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6/c1-4-11(5-2)15-12-6-10(8-23-9(3)18)13(16(19)20)7-14(12)17(21)22/h6-7,11,15H,4-5,8H2,1-3H3