2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate

Systemtic Name: 2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate Openeye Name: 2-[methyl(1-methylheptyl)amino]ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[methyl(octan-2-yl)amino]ethyl ester IUPAC Name: 2-[methyl(octan-2-yl)amino]ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-[methyl(1-methylheptyl)amino]ethyl ester Formula: C18H28N2O4 MolecularWeight: 336.42592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4/c1-4-5-6-7-8-15(2)19(3)13-14-24-18(21)16-9-11-17(12-10-16)20(22)23/h9-12,15H,4-8,13-14H2,1-3H3