2-(2-methylidenehexylamino)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-methylidenehexylamino)ethyl 4-nitrobenzoate Openeye Name: 2-(2-methylenehexylamino)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(2-methylenehexylamino)ethyl ester IUPAC Name: 2-(2-methylidenehexylamino)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-butylallylamino)ethyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-3-4-5-13(2)12-17-10-11-22-16(19)14-6-8-15(9-7-14)18(20)21/h6-9,17H,2-5,10-12H2,1H3