2-[5-azanyl-2,4-dinitro-3-(phenylmethyl)phenyl]ethyl 2-methylprop-2-enoate

Systemtic Name: 2-[5-azanyl-2,4-dinitro-3-(phenylmethyl)phenyl]ethyl 2-methylprop-2-enoate Openeye Name: 2-(5-amino-3-benzyl-2,4-dinitro-phenyl)ethyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 2-[5-amino-2,4-dinitro-3-(phenylmethyl)phenyl]ethyl ester IUPAC Name: 2-(5-amino-3-benzyl-2,4-dinitrophenyl)ethyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 2-(5-amino-3-benzyl-2,4-dinitro-phenyl)ethyl ester Formula: C19H19N3O6 MolecularWeight: 385.37066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OCCC1=CC(=C(C(=C1[N+](=O)[O-])CC2=CC=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(=C)C(=O)OCCC1=CC(=C(C(=C1[N+](=O)[O-])CC2=CC=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C19H19N3O6/c1-12(2)19(23)28-9-8-14-11-16(20)18(22(26)27)15(17(14)21(24)25)10-13-6-4-3-5-7-13/h3-7,11H,1,8-10,20H2,2H3