[6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl 2-chloranylethanoate

Systemtic Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl 2-chloranylethanoate Openeye Name: [3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-phenyl]methyl 2-chloroacetate CAS Name: 2-chloroacetic acid [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl ester IUPAC Name: [6-methyl-2,4-dinitro-3-(pentan-3-ylamino)phenyl]methyl 2-chloroacetate Traditional Name: 2-chloroacetic acid [3-(1-ethylpropylamino)-6-methyl-2,4-dinitro-benzyl] ester Formula: C15H20ClN3O6 MolecularWeight: 373.7888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O6/c1-4-10(5-2)17-14-12(18(21)22)6-9(3)11(15(14)19(23)24)8-25-13(20)7-16/h6,10,17H,4-5,7-8H2,1-3H3