methyl 4-methyl-2-[(3-nitrophenyl)methylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(3-nitrophenyl)methylamino]pentanoate Openeye Name: methyl 4-methyl-2-[(3-nitrophenyl)methylamino]pentanoate CAS Name: 4-methyl-2-[(3-nitrophenyl)methylamino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[(3-nitrophenyl)methylamino]pentanoate Traditional Name: 4-methyl-2-[(3-nitrobenzyl)amino]valeric acid methyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-10(2)7-13(14(17)20-3)15-9-11-5-4-6-12(8-11)16(18)19/h4-6,8,10,13,15H,7,9H2,1-3H3