2-(pentan-3-ylamino)ethyl 4-nitrobenzoate

Systemtic Name: 2-(pentan-3-ylamino)ethyl 4-nitrobenzoate Openeye Name: 2-(1-ethylpropylamino)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(pentan-3-ylamino)ethyl ester IUPAC Name: 2-(pentan-3-ylamino)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(1-ethylpropylamino)ethyl ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-3-12(4-2)15-9-10-20-14(17)11-5-7-13(8-6-11)16(18)19/h5-8,12,15H,3-4,9-10H2,1-2H3