2-(heptan-2-ylamino)ethyl 4-nitrobenzoate

Systemtic Name: 2-(heptan-2-ylamino)ethyl 4-nitrobenzoate Openeye Name: 2-(1-methylhexylamino)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(heptan-2-ylamino)ethyl ester IUPAC Name: 2-(heptan-2-ylamino)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(1-methylhexylamino)ethyl ester Formula: C16H24N2O4 MolecularWeight: 308.37276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O4/c1-3-4-5-6-13(2)17-11-12-22-16(19)14-7-9-15(10-8-14)18(20)21/h7-10,13,17H,3-6,11-12H2,1-2H3