methyl 2-[(2-chloranyl-5-nitro-phenyl)methylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(2-chloranyl-5-nitro-phenyl)methylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2-chloro-5-nitro-phenyl)methylamino]-4-methyl-pentanoate CAS Name: 2-[(2-chloro-5-nitrophenyl)methylamino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-nitrophenyl)methylamino]-4-methylpentanoate Traditional Name: 2-[(2-chloro-5-nitro-benzyl)amino]-4-methyl-valeric acid methyl ester Formula: C14H19ClN2O4 MolecularWeight: 314.76466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O4/c1-9(2)6-13(14(18)21-3)16-8-10-7-11(17(19)20)4-5-12(10)15/h4-5,7,9,13,16H,6,8H2,1-3H3