ethyl 2-[(2-azanyl-5-bromanyl-6-methyl-3-nitro-phenyl)methyl-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[(2-azanyl-5-bromanyl-6-methyl-3-nitro-phenyl)methyl-methyl-amino]ethanoate Openeye Name: ethyl 2-[(2-amino-5-bromo-6-methyl-3-nitro-phenyl)methyl-methyl-amino]acetate CAS Name: 2-[(2-amino-5-bromo-6-methyl-3-nitrophenyl)methyl-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2-amino-5-bromo-6-methyl-3-nitrophenyl)methyl-methylamino]acetate Traditional Name: 2-[(2-amino-5-bromo-6-methyl-3-nitro-benzyl)-methyl-amino]acetic acid ethyl ester Formula: C13H18BrN3O4 MolecularWeight: 360.20372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)CC1=C(C(=CC(=C1C)Br)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)CN(C)CC1=C(C(=CC(=C1C)Br)[N+](=O)[O-])N

InChI

InChI=1S/C13H18BrN3O4/c1-4-21-12(18)7-16(3)6-9-8(2)10(14)5-11(13(9)15)17(19)20/h5H,4,6-7,15H2,1-3H3