methyl 2-[(4-bromanyl-3-nitro-phenyl)methylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[(4-bromanyl-3-nitro-phenyl)methylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[(4-bromo-3-nitro-phenyl)methylamino]-3-methyl-pentanoate CAS Name: 2-[(4-bromo-3-nitrophenyl)methylamino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-3-nitrophenyl)methylamino]-3-methylpentanoate Traditional Name: 2-[(4-bromo-3-nitro-benzyl)amino]-3-methyl-valeric acid methyl ester Formula: C14H19BrN2O4 MolecularWeight: 359.21566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)OC)NCC1=CC(=C(C=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H19BrN2O4/c1-4-9(2)13(14(18)21-3)16-8-10-5-6-11(15)12(7-10)17(19)20/h5-7,9,13,16H,4,8H2,1-3H3