ethyl 3-[(4-chloranyl-3-nitro-phenyl)methylamino]-4-methyl-pentanoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)methylamino]-4-methyl-pentanoate Openeye Name: ethyl 3-[(4-chloro-3-nitro-phenyl)methylamino]-4-methyl-pentanoate CAS Name: 3-[(4-chloro-3-nitrophenyl)methylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloro-3-nitrophenyl)methylamino]-4-methylpentanoate Traditional Name: 3-[(4-chloro-3-nitro-benzyl)amino]-4-methyl-valeric acid ethyl ester Formula: C15H21ClN2O4 MolecularWeight: 328.79124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClN2O4/c1-4-22-15(19)8-13(10(2)3)17-9-11-5-6-12(16)14(7-11)18(20)21/h5-7,10,13,17H,4,8-9H2,1-3H3