[(3-methyl-4-nitro-phenyl)amino] hexanoate

Systemtic Name: [(3-methyl-4-nitro-phenyl)amino] hexanoate Openeye Name: (3-methyl-4-nitro-anilino) hexanoate CAS Name: hexanoic acid (3-methyl-4-nitroanilino) ester IUPAC Name: (3-methyl-4-nitroanilino) hexanoate Traditional Name: hexanoic acid (3-methyl-4-nitro-anilino) ester Formula: C13H18N2O4 MolecularWeight: 266.29302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)ONC1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CCCCCC(=O)ONC1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H18N2O4/c1-3-4-5-6-13(16)19-14-11-7-8-12(15(17)18)10(2)9-11/h7-9,14H,3-6H2,1-2H3