2-(pentylamino)ethyl 4-methyl-3-nitro-benzoate

Systemtic Name: 2-(pentylamino)ethyl 4-methyl-3-nitro-benzoate Openeye Name: 2-(pentylamino)ethyl 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid 2-(pentylamino)ethyl ester IUPAC Name: 2-(pentylamino)ethyl 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid 2-(amylamino)ethyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4/c1-3-4-5-8-16-9-10-21-15(18)13-7-6-12(2)14(11-13)17(19)20/h6-7,11,16H,3-5,8-10H2,1-2H3